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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenylazanylphenyl)ethanamide Openeye Name: N-(4-anilinophenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(4-anilinophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(4-anilinophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(4-anilinophenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O3/c1-25-19-18(20(29)26(2)21(25)30)27(13-22-19)12-17(28)24-16-10-8-15(9-11-16)23-14-6-4-3-5-7-14/h3-11,13,23H,12H2,1-2H3,(H,24,28)