2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2-benzothiazol-3-one Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5OS/c22-15-13-4-1-2-5-14(13)23-21(15)12-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h1-7H,8-12H2