7-chloranyl-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one

Systemtic Name: 7-chloranyl-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one Openeye Name: 7-chloro-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one CAS Name: 7-chloro-1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one IUPAC Name: 7-chloro-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one Traditional Name: 7-chloro-1,1-diketo-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one Formula: C18H21ClN6O3S MolecularWeight: 436.91574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O3S/c19-14-3-4-15-16(13-14)29(27,28)25(18(26)22-15)8-2-7-23-9-11-24(12-10-23)17-20-5-1-6-21-17/h1,3-6,13H,2,7-12H2,(H,22,26)