1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperidine-4-carboxamide CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]isonipecotamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-27-19-22-12-15(20)16(23-19)18(26)24-9-7-14(8-10-24)17(25)21-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,21,25)