7-[(4-methylsulfonylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(4-methylsulfonyl-1-piperazinyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(4-mesylpiperazino)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H17N4O3S2+ MolecularWeight: 329.41838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C12H16N4O3S2/c1-21(18,19)15-4-2-14(3-5-15)9-10-8-11(17)16-6-7-20-12(16)13-10/h6-8H,2-5,9H2,1H3/p+1