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

Systemtic Name: ethyl (4S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4,5-dimethyl-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 (4S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NN=C(N2C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NN=C(N2C)C)C(=O)OCC

InChI

InChI=1S/C14H21N5O3S/c1-5-9-11(12(20)22-6-2)10(16-13(21)15-9)7-23-14-18-17-8(3)19(14)4/h9H,5-7H2,1-4H3,(H2,15,16,21)/t9-/m0/s1