[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-thiophen-2-ylcarbonyloxy-propyl] thiophene-2-carboxylate

Systemtic Name: [3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-thiophen-2-ylcarbonyloxy-propyl] thiophene-2-carboxylate Openeye Name: [3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-[oxo(thiophen-2-yl)methoxy]propyl] ester IUPAC Name: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-(2-thenoyloxy)propyl] ester Formula: C20H18N4O6S2 MolecularWeight: 474.51012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CC=CS3)OC(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CC=CS3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N4O6S2/c1-22-16-15(17(25)23(2)20(22)28)24(11-21-16)9-12(30-19(27)14-6-4-8-32-14)10-29-18(26)13-5-3-7-31-13/h3-8,11-12H,9-10H2,1-2H3