1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C27H29N5O2S MolecularWeight: 487.61646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CSC5=NC=CC(=N5)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CSC5=NC=CC(=N5)C

InChI

InChI=1S/C27H29N5O2S/c1-18-7-8-23(26(34)32-15-21-5-3-4-6-22(21)16-32)25(29-18)20-10-13-31(14-11-20)24(33)17-35-27-28-12-9-19(2)30-27/h3-9,12,20H,10-11,13-17H2,1-2H3