2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)purin-8-one

Systemtic Name: 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)purin-8-one Openeye Name: 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)purin-8-one CAS Name: 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)-8-purinone IUPAC Name: 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)purin-8-one Traditional Name: 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)purin-8-one Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)C4=CC=CC=C4OC)NC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)C4=CC=CC=C4OC)NC5CC5

InChI

InChI=1S/C22H21N5O3/c1-29-16-7-5-6-15(12-16)26-20-18(13-23-21(25-20)24-14-10-11-14)27(22(26)28)17-8-3-4-9-19(17)30-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,24,25)