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

Systemtic Name: methyl 4-[(3-chloranylpyridin-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(3-chloro-2-pyridyl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(3-chloro-2-pyridinyl)thio]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(3-chloropyridin-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(3-chloro-2-pyridyl)thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=C(C=CC=N4)Cl

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=C(C=CC=N4)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-28-20(26)17-16(12-29-19-15(22)8-5-11-23-19)25(14-9-10-14)21(27)24-18(17)13-6-3-2-4-7-13/h2-8,11,14,18H,9-10,12H2,1H3,(H,24,27)