2,7-dimethyl-6-(4-phenylpiperazin-1-yl)sulfonyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 2,7-dimethyl-6-(4-phenylpiperazin-1-yl)sulfonyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2,7-dimethyl-6-(4-phenylpiperazin-1-yl)sulfonyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2,7-dimethyl-6-[(4-phenyl-1-piperazinyl)sulfonyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2,7-dimethyl-6-(4-phenylpiperazin-1-yl)sulfonyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2,7-dimethyl-6-(4-phenylpiperazino)sulfonyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C18H20N4O3S2/c1-13-12-22-17(23)16(14(2)19-18(22)26-13)27(24,25)21-10-8-20(9-11-21)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3/p+1