N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C22H20ClN3O2S/c1-3-7-18-17(13-24-22(26-18)29-2)21(28)25-19-11-10-15(23)12-16(19)20(27)14-8-5-4-6-9-14/h4-6,8-13H,3,7H2,1-2H3,(H,25,28)