1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[1-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-2-phenylethyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidino]-2-(2-pyrimidylthio)ethanone Formula: C26H34N6OS MolecularWeight: 478.65276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=NC=CC=N4)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=NC=CC=N4)C

InChI

InChI=1S/C26H34N6OS/c1-20-23(18-31(3)29-20)17-30(2)24(16-21-8-5-4-6-9-21)22-10-14-32(15-11-22)25(33)19-34-26-27-12-7-13-28-26/h4-9,12-13,18,22,24H,10-11,14-17,19H2,1-3H3