2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]-N-phenyl-ethanamide Openeye Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenyl-acetamide CAS Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenylacetamide IUPAC Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide Traditional Name: 2-(8-anilino-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenyl-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)NC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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