4-[2,6-bis(chloranyl)phenyl]-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[2,6-bis(chloranyl)phenyl]-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(2,6-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(2,6-dichlorophenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(2,6-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(2,6-dichlorophenyl)-6-methyl-2-(methylthio)-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C22H21Cl2N3OS MolecularWeight: 446.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=C(C=CC=C3Cl)Cl)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=C(C=CC=C3Cl)Cl)SC

InChI

InChI=1S/C22H21Cl2N3OS/c1-14-18(21(28)25-13-7-10-15-8-4-3-5-9-15)20(27-22(26-14)29-2)19-16(23)11-6-12-17(19)24/h3-6,8-9,11-12H,7,10,13H2,1-2H3,(H,25,28)