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

Systemtic Name: 3-methyl-7-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H19N4O3S3+ MolecularWeight: 423.55276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C17H18N4O3S3/c1-12-10-26-17-19-13(8-16(22)21(12)17)11-25-15-5-4-14(9-18-15)27(23,24)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7,11H2,1H3/p+1