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

Systemtic Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1,2,4-benzothiadiazin-3-one Openeye Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1,2,4-benzothiadiazin-3-one CAS Name: 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4H-1,2,4-benzothiadiazin-3-one IUPAC Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1,2,4-benzothiadiazin-3-one Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazino]propyl]-4H-1,2,4-benzothiadiazin-3-one Formula: C18H22N6OS MolecularWeight: 370.47188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)NC3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)NC3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C18H22N6OS/c25-18-21-15-5-1-2-6-16(15)26-24(18)10-4-9-22-11-13-23(14-12-22)17-19-7-3-8-20-17/h1-3,5-8H,4,9-14H2,(H,21,25)