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

Systemtic Name: 7-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1,2,4-benzothiadiazin-3-one Openeye Name: 7-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1,2,4-benzothiadiazin-3-one CAS Name: 7-nitro-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4H-1,2,4-benzothiadiazin-3-one IUPAC Name: 7-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1,2,4-benzothiadiazin-3-one Traditional Name: 7-nitro-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-4H-1,2,4-benzothiadiazin-3-one Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C18H21N7O3S/c26-18-21-15-4-3-14(25(27)28)13-16(15)29-24(18)8-2-7-22-9-11-23(12-10-22)17-19-5-1-6-20-17/h1,3-6,13H,2,7-12H2,(H,21,26)