Basic information
- Standard SMILES
Cn1ccnc1-c1c2c(=O)n(C)c(=O)[nH]c2nn1Cc1c[nH]c2ccc(Cl)cc12- InChIKey
ZFOJCVFWUDCEAF-UHFFFAOYSA-N- Molecular formula
- C19H16ClN7O2
- Average molar mass
- 409.8 g/mol
Names & identifiers
- Preferred name
- 2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methyl-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
- IUPAC
- 2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methyl-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methyl-1H-imidazol-2-yl}-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dioneSCHEMBL5393610ZFOJCVFWUDCEAF-UHFFFAOYSA-N2-[(5-chloro-1h-indol-3-yl)methyl]-5-methyl-3-(1-methyl-1h-imdazol-2-yl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
Database identifiers
- PubChem CID
- 136334114
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
Related reactions
10 records
Compound notes
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