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

Systemtic Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-phenethyl-pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-phenethyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dichlorophenyl)-6-methyl-2-(methylthio)-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-phenethylpyrimidine-5-carboxamide Traditional Name: 4-(3,4-dichlorophenyl)-6-methyl-2-(methylthio)-N-phenethyl-pyrimidine-5-carboxamide Formula: C21H19Cl2N3OS MolecularWeight: 432.36606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C21H19Cl2N3OS/c1-13-18(20(27)24-11-10-14-6-4-3-5-7-14)19(26-21(25-13)28-2)15-8-9-16(22)17(23)12-15/h3-9,12H,10-11H2,1-2H3,(H,24,27)