(4-ethanoylphenyl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: (4-ethanoylphenyl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: (4-acetylphenyl) 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid (4-acetylphenyl) ester Formula: C19H20N4O5 MolecularWeight: 384.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c1-12(24)13-6-8-14(9-7-13)28-15(25)5-4-10-23-11-20-17-16(23)18(26)22(3)19(27)21(17)2/h6-9,11H,4-5,10H2,1-3H3