[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl thiophene-2-carboxylate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl thiophene-2-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CS3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CS3)C

InChI

InChI=1S/C16H18N4O4S/c1-3-4-7-20-13-12(14(21)18-16(20)23)19(2)11(17-13)9-24-15(22)10-6-5-8-25-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,21,23)