1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-thieno[2,3-e][1,2,4]thiadiazin-3-one hydrobromide

Systemtic Name: 1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-thieno[2,3-e][1,2,4]thiadiazin-3-one hydrobromide Openeye Name: 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-thieno[2,3-e][1,2,4]thiadiazin-3-one hydrobromide CAS Name: 1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4H-thieno[2,3-e][1,2,4]thiadiazin-3-one hydrobromide IUPAC Name: 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-thieno[2,3-e][1,2,4]thiadiazin-3-one hydrobromide Traditional Name: 1,1-diketo-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-4H-thieno[2,3-e][1,2,4]thiadiazin-3-one hydrobromide Formula: C16H21BrN6O3S2 MolecularWeight: 489.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)NC3=C(S2(=O)=O)C=CS3)C4=NC=CC=N4.Br

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)NC3=C(S2(=O)=O)C=CS3)C4=NC=CC=N4.Br

InChI

InChI=1S/C16H20N6O3S2.BrH/c23-16-19-14-13(3-12-26-14)27(24,25)22(16)7-2-6-20-8-10-21(11-9-20)15-17-4-1-5-18-15;/h1,3-5,12H,2,6-11H2,(H,19,23);1H