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

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-6-ethyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(3,5-dichlorophenyl)-6-ethyl-2-(methylthio)-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C23H23Cl2N3OS MolecularWeight: 460.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)SC

Isomeric SMILES

CCC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)SC

InChI

InChI=1S/C23H23Cl2N3OS/c1-3-19-20(22(29)26-11-7-10-15-8-5-4-6-9-15)21(28-23(27-19)30-2)16-12-17(24)14-18(25)13-16/h4-6,8-9,12-14H,3,7,10-11H2,1-2H3,(H,26,29)