ethyl 8-azanyl-6-methylsulfanyl-3-oxidanylidene-2,4-dihydropyrimido[4,5-e][1,2,4]triazine-1-carboxylate

Systemtic Name: ethyl 8-azanyl-6-methylsulfanyl-3-oxidanylidene-2,4-dihydropyrimido[4,5-e][1,2,4]triazine-1-carboxylate Openeye Name: ethyl 8-amino-6-methylsulfanyl-3-oxo-2,4-dihydropyrimido[4,5-e][1,2,4]triazine-1-carboxylate CAS Name: 8-amino-6-(methylthio)-3-oxo-2,4-dihydropyrimido[4,5-e][1,2,4]triazine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-6-methylsulfanyl-3-oxo-2,4-dihydropyrimido[4,5-e][1,2,4]triazine-1-carboxylate Traditional Name: 8-amino-3-keto-6-(methylthio)-2,4-dihydropyrimido[4,5-e][1,2,4]triazine-1-carboxylic acid ethyl ester Formula: C9H12N6O3S MolecularWeight: 284.29498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(NC(=O)N1)N=C(N=C2N)SC

Isomeric SMILES

CCOC(=O)N1C2=C(NC(=O)N1)N=C(N=C2N)SC

InChI

InChI=1S/C9H12N6O3S/c1-3-18-9(17)15-4-5(10)11-8(19-2)13-6(4)12-7(16)14-15/h3H2,1-2H3,(H4,10,11,12,13,14,16)