3-methyl-N-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 3-methyl-N-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-methyl-N-(2-methyl-5-nitro-phenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-methyl-N-(2-methyl-5-nitrophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-methyl-N-(2-methyl-5-nitrophenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-methyl-N-(2-methyl-5-nitro-phenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C15H13N4O4S+ MolecularWeight: 345.35312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C

InChI

InChI=1S/C15H12N4O4S/c1-8-3-4-10(19(22)23)5-12(8)17-13(20)11-6-16-15-18(14(11)21)9(2)7-24-15/h3-7H,1-2H3,(H,17,20)/p+1