1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C18H18N4O2S/c23-16(12-25-18-19-8-3-9-20-18)22-10-6-13(7-11-22)17-21-14-4-1-2-5-15(14)24-17/h1-5,8-9,13H,6-7,10-12H2