6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzothiazin-3-one Openeye Name: 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[2-[4-(2-pyrimidyl)piperazino]ethyl]-4H-1,4-benzothiazin-3-one Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)SCC(=O)N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)SCC(=O)N3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5OS/c24-17-13-25-16-3-2-14(12-15(16)21-17)4-7-22-8-10-23(11-9-22)18-19-5-1-6-20-18/h1-3,5-6,12H,4,7-11,13H2,(H,21,24)