methyl (6S)-4-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-4-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-4-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-[[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-4-[(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-[[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=C([C@@H](NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)C#N

InChI

InChI=1S/C23H23N5O3S/c1-13-17(11-24)21(26-14(2)25-13)32-12-18-19(22(29)31-3)20(15-7-5-4-6-8-15)27-23(30)28(18)16-9-10-16/h4-8,16,20H,9-10,12H2,1-3H3,(H,27,30)/t20-/m0/s1