methyl (6S)-3-cyclopropyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-cyclopropyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=C([C@@H](NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)C5=CC=NC=C5

InChI

InChI=1S/C25H26N6O3S/c1-3-30-22(17-11-13-26-14-12-17)28-29-25(30)35-15-19-20(23(32)34-2)21(16-7-5-4-6-8-16)27-24(33)31(19)18-9-10-18/h4-8,11-14,18,21H,3,9-10,15H2,1-2H3,(H,27,33)/t21-/m0/s1