4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(4-chlorophenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(4-chlorophenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C22H22ClN3OS/c1-15-19(21(27)24-14-6-9-16-7-4-3-5-8-16)20(26-22(25-15)28-2)17-10-12-18(23)13-11-17/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,24,27)