N-(2-methylphenyl)-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-(o-tolyl)acetamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-17(2)13-28-16-26-23-22(28)24(32)30(15-21(31)27-20-12-8-7-9-18(20)3)25(33)29(23)14-19-10-5-4-6-11-19/h4-12,16-17H,13-15H2,1-3H3,(H,27,31)