3-Isobutyl-8-(5,6-dimethoxy-isoquinolin-4-ylmethyl)-1-methyl-3,7-dihydro-purine-2,6-dione

HCID 22226503

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

Related reactions

3 records

Compound notes

Loading…