(6S)-3-cyclopropyl-6-(4-fluorophenyl)-N-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-3-cyclopropyl-6-(4-fluorophenyl)-N-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-3-cyclopropyl-6-(4-fluorophenyl)-N-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-3-cyclopropyl-6-(4-fluorophenyl)-N-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-3-cyclopropyl-6-(4-fluorophenyl)-N-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-3-cyclopropyl-6-(4-fluorophenyl)-N-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2CC2)C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H22FN3O2S/c1-13-19(21(27)24-16-4-3-5-18(12-16)28-2)20(14-6-8-15(23)9-7-14)25-22(29)26(13)17-10-11-17/h3-9,12,17,20H,10-11H2,1-2H3,(H,24,27)(H,25,29)/t20-/m0/s1