2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]-N-(4-pyridylmethyl)acetamide Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C18H22ClN5OS/c1-13-4-8-24(9-5-13)16-10-15(19)22-18(23-16)26-12-17(25)21-11-14-2-6-20-7-3-14/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3,(H,21,25)