2-(4-chloranyl-2-methyl-phenoxy)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]ethanone Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCC(C2)C3=NC(=NC=C3C)SCC4CCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCC(C2)C3=NC(=NC=C3C)SCC4CCCO4

InChI

InChI=1S/C24H30ClN3O3S/c1-16-11-19(25)7-8-21(16)31-14-22(29)28-9-3-5-18(13-28)23-17(2)12-26-24(27-23)32-15-20-6-4-10-30-20/h7-8,11-12,18,20H,3-6,9-10,13-15H2,1-2H3