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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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