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

Systemtic Name: ethyl (4R)-4-(4-methylphenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-methylphenyl)-6-[[(2-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-methylphenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[[(2-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CSC3=NC=NN3C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)C)CSC3=NC=NN3C

InChI

InChI=1S/C18H21N5O3S/c1-4-26-16(24)14-13(9-27-18-19-10-20-23(18)3)21-17(25)22-15(14)12-7-5-11(2)6-8-12/h5-8,10,15H,4,9H2,1-3H3,(H2,21,22,25)/t15-/m1/s1