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

Systemtic Name: N-(6-azanylhexyl)-4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C23H32ClN5OS MolecularWeight: 462.05108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCCCCN)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCCCCN)Cl

InChI

InChI=1S/C23H32ClN5OS/c24-20-16-21(29-14-6-3-7-15-29)28-23(27-20)31-17-18-8-10-19(11-9-18)22(30)26-13-5-2-1-4-12-25/h8-11,16H,1-7,12-15,17,25H2,(H,26,30)