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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1-phenylethyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(1-phenylethyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(1-phenylethyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(1-phenylethyl)butyramide Formula: C19H23N5O3 MolecularWeight: 369.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23N5O3/c1-13(14-8-5-4-6-9-14)21-15(25)10-7-11-24-12-20-17-16(24)18(26)23(3)19(27)22(17)2/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,21,25)