methyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]propanoate

Systemtic Name: methyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]propanoate Openeye Name: methyl 3-(1,3-dimethyl-2,6-dioxo-purin-9-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-9-purinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(1,3-dimethyl-2,6-dioxopurin-9-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-9-yl)propionic acid methyl ester Formula: C11H14N4O4 MolecularWeight: 266.25326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCC(=O)OC

InChI

InChI=1S/C11H14N4O4/c1-13-9-8(10(17)14(2)11(13)18)12-6-15(9)5-4-7(16)19-3/h6H,4-5H2,1-3H3