2-[(3,4-dimethoxyphenyl)methyl]-9-[methyl(3-phenylpropyl)amino]-3H-purin-6-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[methyl(3-phenylpropyl)amino]-3H-purin-6-one Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[methyl(3-phenylpropyl)amino]-3H-purin-6-one CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[methyl(3-phenylpropyl)amino]-3H-purin-6-one IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[methyl(3-phenylpropyl)amino]-3H-purin-6-one Traditional Name: 9-[methyl(3-phenylpropyl)amino]-2-veratryl-3H-purin-6-one Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H27N5O3/c1-28(13-7-10-17-8-5-4-6-9-17)29-16-25-22-23(29)26-21(27-24(22)30)15-18-11-12-19(31-2)20(14-18)32-3/h4-6,8-9,11-12,14,16H,7,10,13,15H2,1-3H3,(H,26,27,30)