1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]isonipecotamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O3S/c20-14-3-1-2-12(8-14)11-28-19-22-15(9-16(25)23-19)10-17(26)24-6-4-13(5-7-24)18(21)27/h1-3,8-9,13H,4-7,10-11H2,(H2,21,27)(H,22,23,25)