2-methoxy-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-piperidyl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidinyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-piperidyl]pyrazol-3-yl]benzamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CN=C(N=C4)SC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)CC4=CN=C(N=C4)SC

InChI

InChI=1S/C22H26N6O2S/c1-30-19-6-4-3-5-18(19)21(29)26-20-7-10-25-28(20)17-8-11-27(12-9-17)15-16-13-23-22(31-2)24-14-16/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,26,29)