5-chloranyl-2-methylsulfanyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-(piperidine-1-carbonyl)benzyl]pyrimidine-4-carboxamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-27-19-22-12-15(20)16(23-19)17(25)21-11-13-5-7-14(8-6-13)18(26)24-9-3-2-4-10-24/h5-8,12H,2-4,9-11H2,1H3,(H,21,25)