2-(4-chloranylphenoxy)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]ethanone Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=C(C=C3)Cl)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=C(C=C3)Cl)SCC4=CN=CC=C4

InChI

InChI=1S/C24H25ClN4O2S/c1-17-12-27-24(32-16-18-4-2-10-26-13-18)28-23(17)19-5-3-11-29(14-19)22(30)15-31-21-8-6-20(25)7-9-21/h2,4,6-10,12-13,19H,3,5,11,14-16H2,1H3