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

Systemtic Name: N-(6-azanylhexyl)-4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C24H34ClN5OS MolecularWeight: 476.07766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCCCCN)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCCCCN)Cl

InChI

InChI=1S/C24H34ClN5OS/c1-18-10-14-30(15-11-18)22-16-21(25)28-24(29-22)32-17-19-6-8-20(9-7-19)23(31)27-13-5-3-2-4-12-26/h6-9,16,18H,2-5,10-15,17,26H2,1H3,(H,27,31)