1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C20H22N4O2S/c1-13-11-14(2)22-20(21-13)27-12-18(25)24-9-7-15(8-10-24)19-23-16-5-3-4-6-17(16)26-19/h3-6,11,15H,7-10,12H2,1-2H3