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

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[(4-cyanophenyl)methyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(4-cyanobenzyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N6O3/c1-21-15-14(16(25)22(2)17(21)26)23(10-20-15)9-13(24)19-8-12-5-3-11(7-18)4-6-12/h3-6,10H,8-9H2,1-2H3,(H,19,24)