[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H21N5O2S/c29-21(27-12-14-28(15-13-27)22-24-10-5-11-25-22)18-7-2-1-6-17(18)16-31-23-26-19-8-3-4-9-20(19)30-23/h1-11H,12-16H2