2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C22H26N6O2S MolecularWeight: 438.54584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H26N6O2S/c29-21(15-31-22-25-17-6-2-3-7-18(17)30-22)28-12-10-27(11-13-28)20-14-19(23-16-24-20)26-8-4-1-5-9-26/h2-3,6-7,14,16H,1,4-5,8-13,15H2