4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfonyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfonyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfonyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfonyl-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfonyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(3,4-dichlorophenyl)-2-mesyl-6-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C22H21Cl2N3O3S MolecularWeight: 478.39144

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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)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O3S/c1-14-19(21(28)25-12-6-9-15-7-4-3-5-8-15)20(27-22(26-14)31(2,29)30)16-10-11-17(23)18(24)13-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,25,28)