(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C)SCC5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C)SCC5=CC=CC=N5

InChI

InChI=1S/C27H27N5O2S/c1-18-15-29-27(35-17-22-12-6-7-13-28-22)30-24(18)21-11-8-14-32(16-21)26(33)23-19(2)34-31-25(23)20-9-4-3-5-10-20/h3-7,9-10,12-13,15,21H,8,11,14,16-17H2,1-2H3