3,7-dimethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 3,7-dimethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one Openeye Name: 3,7-dimethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiazolo[3,2-a]pyrimidin-5-one CAS Name: 3,7-dimethyl-6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-5-thiazolo[3,2-a]pyrimidinone IUPAC Name: 3,7-dimethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one Traditional Name: 3,7-dimethyl-6-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-thiazolo[3,2-a]pyrimidin-5-one Formula: C17H20N5O3S2+ MolecularWeight: 406.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CSC2=NC(=C(C(=O)N12)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C17H19N5O3S2/c1-12-11-26-17-19-13(2)15(16(23)22(12)17)27(24,25)21-9-7-20(8-10-21)14-5-3-4-6-18-14/h3-6,11H,7-10H2,1-2H3/p+1