4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 4-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 4-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-(2-piperidinoethyl)benzamide Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN3CCCCC3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN3CCCCC3)Cl

InChI

InChI=1S/C21H28ClN5OS/c1-26(2)19-14-18(22)24-21(25-19)29-15-16-6-8-17(9-7-16)20(28)23-10-13-27-11-4-3-5-12-27/h6-9,14H,3-5,10-13,15H2,1-2H3,(H,23,28)