Basic information
- Standard SMILES
CCCc1c2nc(-c3cc(C(N)=NOC(C)=O)cnc3OCC(C)C)[nH]c(=O)c2nn1C- InChIKey
XDWZHFWCHVUZPS-UHFFFAOYSA-N- Molecular formula
- C21H27N7O4
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- 5-{5-[[(Acetyloxy)imino](amino)methyl]-2-isobutoxy-3-pyridinyl}-2-methyl-3-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
- IUPAC
- [[amino-[5-(2-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-(2-methylpropoxy)-3-pyridinyl]methylidene]amino] acetate
Names & synonyms
SCHEMBL6776754XDWZHFWCHVUZPS-UHFFFAOYSA-N5-{5-[[(Acetyloxy)imino](amino)methyl]-2-isobutoxy-3-pyridinyl}-2-methyl-3-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Database identifiers
- PubChem CID
- 136388377
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 756
Related reactions
2 records
Compound notes
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