2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazin-3-one

Systemtic Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazin-3-one Openeye Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazin-3-one CAS Name: 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazin-3-one IUPAC Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazin-3-one Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazino]propyl]-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazin-3-one Formula: C19H21F3N6OS MolecularWeight: 438.46985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)NC3=C(S2)C=C(C=C3)C(F)(F)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)NC3=C(S2)C=C(C=C3)C(F)(F)F)C4=NC=CC=N4

InChI

InChI=1S/C19H21F3N6OS/c20-19(21,22)14-3-4-15-16(13-14)30-28(18(29)25-15)8-2-7-26-9-11-27(12-10-26)17-23-5-1-6-24-17/h1,3-6,13H,2,7-12H2,(H,25,29)