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

Systemtic Name: ethyl (4R)-4-methyl-6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-methyl-6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-methyl-6-[[(4-methyl-5-phenyl-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-methyl-6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-methyl-6-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-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)NC1C)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3S/c1-4-26-16(24)14-11(2)19-17(25)20-13(14)10-27-18-22-21-15(23(18)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,19,20,25)/t11-/m1/s1