6-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C12H17N4O3S2+ MolecularWeight: 329.41838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CNC2=O)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C2=C(S1)N=CNC2=O)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C12H16N4O3S2/c1-8-10(9-11(17)13-7-14-12(9)20-8)21(18,19)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,13,14,17)/p+1