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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H24N4O3S/c1-4-15-18(19(26)28-5-2)17(24-20(27)23-15)12-29-21-22-13(3)11-16(25-21)14-9-7-6-8-10-14/h6-11,15H,4-5,12H2,1-3H3,(H2,23,24,27)/t15-/m0/s1