Basic information
- Standard SMILES
COc1ccc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2c1OC- InChIKey
CGBOOAUGGGJYAP-UHFFFAOYSA-N- Molecular formula
- C22H25N5O4
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- 3-Isobutyl-8-(5,6-dimethoxy-isoquinolin-4-ylmethyl)-1-methyl-3,7-dihydro-purine-2,6-dione
- IUPAC
- 8-[(5,6-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Names & synonyms
SCHEMBL4808180CGBOOAUGGGJYAP-UHFFFAOYSA-N3-isobutyl-8-(5,6-dimethoxy-isoquinolin-4-ylmethyl)-1-methyl-3,7-dihydro-purine-2,6-dione3-isobutyl-8-(5,6-dimethoxy-isoquinolin4-ylmethyl)-1-methyl-3,7-dihydro-purine-2,6-dione
Database identifiers
- PubChem CID
- 22226503
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 676
Related reactions
3 records
Compound notes
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