4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-5-carboxamide CAS Name: 4-(3,4-dichlorophenyl)-6-methyl-2-(methylthio)-N-(4-phenylbutyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-5-carboxamide Traditional Name: 4-(3,4-dichlorophenyl)-6-methyl-2-(methylthio)-N-(4-phenylbutyl)pyrimidine-5-carboxamide Formula: C23H23Cl2N3OS MolecularWeight: 460.41922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C23H23Cl2N3OS/c1-15-20(22(29)26-13-7-6-10-16-8-4-3-5-9-16)21(28-23(27-15)30-2)17-11-12-18(24)19(25)14-17/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,26,29)