dimethyl 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanedioate

Systemtic Name: dimethyl 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanedioate Openeye Name: dimethyl 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)propanedioate CAS Name: 2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanedioate Traditional Name: 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)malonic acid dimethyl ester Formula: C13H16N4O6 MolecularWeight: 324.28934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(C(=O)OC)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(C(=O)OC)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H16N4O6/c1-15-7-9(16(2)13(21)17(3)10(7)18)14-8(15)6(11(19)22-4)12(20)23-5/h6H,1-5H3