4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide Openeye Name: 4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N,N-diethylbenzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]-N,N-diethyl-benzamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

InChI

InChI=1S/C22H29ClN4OS/c1-4-26(5-2)21(28)18-8-6-17(7-9-18)15-29-22-24-19(23)14-20(25-22)27-12-10-16(3)11-13-27/h6-9,14,16H,4-5,10-13,15H2,1-3H3