(6S)-N-(3-chlorophenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-N-(3-chlorophenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-N-(3-chlorophenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-N-(3-chlorophenyl)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-N-(3-chlorophenyl)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-N-(3-chlorophenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C2C(=C(N(C(=S)N2)C3CC3)C)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(N1C)C#N)[C@H]2C(=C(N(C(=S)N2)C3CC3)C)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5OS/c1-12-18(10-17(11-24)27(12)3)20-19(13(2)28(16-7-8-16)22(30)26-20)21(29)25-15-6-4-5-14(23)9-15/h4-6,9-10,16,20H,7-8H2,1-3H3,(H,25,29)(H,26,30)/t20-/m0/s1