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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]ethanone Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC=N2)N3CCOCC3)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC(=NC=N2)N3CCOCC3)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H24N6O3S/c28-20(14-31-21-24-16-3-1-2-4-17(16)30-21)27-7-5-25(6-8-27)18-13-19(23-15-22-18)26-9-11-29-12-10-26/h1-4,13,15H,5-12,14H2