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

Systemtic Name: 2-methylsulfanyl-N-[2-(phenylcarbonyl)phenyl]-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(2-benzoylphenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(2-benzoylphenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-benzoylphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2-benzoylphenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C22H21N3O2S/c1-3-9-18-17(14-23-22(25-18)28-2)21(27)24-19-13-8-7-12-16(19)20(26)15-10-5-4-6-11-15/h4-8,10-14H,3,9H2,1-2H3,(H,24,27)