AB35190
2879-15-4 | 8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Manufacturer: A2B Chem
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CatalogNumber
AB35190
ChemicalName
8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber
2879-15-4
MolecularFormula
C14H14N4O2
MolecularWeight
270.2866
MdlNumber
MFCD00067027
Smiles
Cn1c2[nH]c(nc2c(=O)n(c1=O)C)Cc1ccccc1
NscNumber
14131
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB35190
ChemicalName: 8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber: 2879-15-4
MolecularFormula: C14H14N4O2
MolecularWeight: 270.2866
MdlNumber: MFCD00067027
Smiles: Cn1c2[nH]c(nc2c(=O)n(c1=O)C)Cc1ccccc1
NscNumber: 14131
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB35190
ChemicalName:
8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber:
2879-15-4
MolecularFormula:
C14H14N4O2
MolecularWeight:
270.2866
MdlNumber:
MFCD00067027
Smiles:
Cn1c2[nH]c(nc2c(=O)n(c1=O)C)Cc1ccccc1
NscNumber:
14131
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2[nH]c(nc2c(=O)[nH]1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2[nH]c(nc2c(=O)[nH]1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB35193
ChemicalName: 4-Bromo-1-methyl-1h-pyrazole-3-carbonitrile
CasNumber: 287922-71-8
MolecularFormula: C5H4BrN3
MolecularWeight: 186.0094
MdlNumber: MFCD00103545
Smiles: N#Cc1nn(cc1Br)C
NscNumber: __
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB35193
ChemicalName:
4-Bromo-1-methyl-1h-pyrazole-3-carbonitrile
CasNumber:
287922-71-8
MolecularFormula:
C5H4BrN3
MolecularWeight:
186.0094
MdlNumber:
MFCD00103545
Smiles:
N#Cc1nn(cc1Br)C
NscNumber:
__
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(N)nc(nc1SC)c1ccc(cc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(N)nc(nc1SC)c1ccc(cc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__