prop-1-en-2-yl 7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylate

Systemtic Name: prop-1-en-2-yl 7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylate Openeye Name: isopropenyl 7,7-dimethyl-6-thioxo-5H-pteridine-8-carboxylate CAS Name: 7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylic acid 1-methylethenyl ester IUPAC Name: prop-1-en-2-yl 7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylate Traditional Name: 7,7-dimethyl-6-thioxo-5H-pteridine-8-carboxylic acid isopropenyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OC(=O)N1C2=NC=NC=C2NC(=S)C1(C)C

Isomeric SMILES

CC(=C)OC(=O)N1C2=NC=NC=C2NC(=S)C1(C)C

InChI

InChI=1S/C12H14N4O2S/c1-7(2)18-11(17)16-9-8(5-13-6-14-9)15-10(19)12(16,3)4/h5-6H,1H2,2-4H3,(H,15,19)