N-(4-cyanophenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(4-cyanophenyl)acetamide CAS Name: N-(4-cyanophenyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(4-cyanophenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(4-cyanophenyl)acetamide Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H20N6O3/c1-2-27-15-25-21-20(27)22(31)29(23(32)28(21)13-17-6-4-3-5-7-17)14-19(30)26-18-10-8-16(12-24)9-11-18/h3-11,15H,2,13-14H2,1H3,(H,26,30)