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

Systemtic Name: 3-methyl-7-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H19N4O4S2+ MolecularWeight: 407.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C17H18N4O4S2/c1-12-11-26-17-18-13(8-16(23)21(12)17)9-19-10-14(4-5-15(19)22)27(24,25)20-6-2-3-7-20/h4-5,8,10-11H,2-3,6-7,9H2,1H3/p+1