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

Systemtic Name: prop-1-en-2-yl 2-azanyl-7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylate Openeye Name: isopropenyl 2-amino-7,7-dimethyl-6-thioxo-5H-pteridine-8-carboxylate CAS Name: 2-amino-7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylic acid 1-methylethenyl ester IUPAC Name: prop-1-en-2-yl 2-amino-7,7-dimethyl-6-sulfanylidene-5H-pteridine-8-carboxylate Traditional Name: 2-amino-7,7-dimethyl-6-thioxo-5H-pteridine-8-carboxylic acid isopropenyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O2S/c1-6(2)19-11(18)17-8-7(5-14-10(13)16-8)15-9(20)12(17,3)4/h5H,1H2,2-4H3,(H,15,20)(H2,13,14,16)