1-[4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotamide Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)Cl

InChI

InChI=1S/C20H24ClN5O2S/c1-25(2)17-11-16(21)23-20(24-17)29-12-13-3-5-15(6-4-13)19(28)26-9-7-14(8-10-26)18(22)27/h3-6,11,14H,7-10,12H2,1-2H3,(H2,22,27)