ethyl 6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H18N6O3S MolecularWeight: 326.37472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NNC(=N2)N)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=NNC(=N2)N)C(=O)OCC

InChI

InChI=1S/C12H18N6O3S/c1-3-6-8(9(19)21-4-2)7(15-11(20)14-6)5-22-12-16-10(13)17-18-12/h6H,3-5H2,1-2H3,(H2,14,15,20)(H3,13,16,17,18)