2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(C(=C(N2)C)C(=O)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(C(=C(N2)C)C(=O)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-12-8-9-15(10-16(12)22)25-17(27)11-29-21-24-13(2)18(20(23)28)19(26-21)14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3,(H2,23,28)(H,24,26)(H,25,27)