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

Systemtic Name: 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one Openeye Name: 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one CAS Name: 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-8-purinone IUPAC Name: 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one Traditional Name: 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-o-anisyl-purin-8-one Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=CC=C4OC)NC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=CC=C4OC)NC5CC5

InChI

InChI=1S/C23H23N5O3/c1-30-18-8-5-7-17(12-18)28-21-19(13-24-22(26-21)25-16-10-11-16)27(23(28)29)14-15-6-3-4-9-20(15)31-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,24,25,26)