ethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate

Systemtic Name: ethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate Openeye Name: ethyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)propionic acid ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O4/c1-4-20-8(17)6-5-7-13-9-10(14-7)15(2)12(19)16(3)11(9)18/h4-6H2,1-3H3,(H,13,14)