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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-25-19-18(21(29)26(2)22(25)30)27(13-23-19)17(14-8-5-4-6-9-14)20(28)24-15-10-7-11-16(12-15)31-3/h4-13,17H,1-3H3,(H,24,28)