2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4H-1,2,4-benzothiadiazin-3-one

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4H-1,2,4-benzothiadiazin-3-one Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4H-1,2,4-benzothiadiazin-3-one CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4H-1,2,4-benzothiadiazin-3-one IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4H-1,2,4-benzothiadiazin-3-one Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazino]butyl]-4H-1,2,4-benzothiadiazin-3-one Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)NC3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)NC3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C19H24N6OS/c26-19-22-16-6-1-2-7-17(16)27-25(19)11-4-3-10-23-12-14-24(15-13-23)18-20-8-5-9-21-18/h1-2,5-9H,3-4,10-15H2,(H,22,26)