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

Systemtic Name: 3-methyl-5-oxidanylidene-N-(thiophen-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-methyl-5-oxo-N-(2-thienylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-methyl-5-oxo-N-(thiophen-2-ylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-methyl-5-oxo-N-(thiophen-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-methyl-N-(2-thenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C13H12N3O2S2+ MolecularWeight: 306.38328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C13H11N3O2S2/c1-8-7-20-13-15-6-10(12(18)16(8)13)11(17)14-5-9-3-2-4-19-9/h2-4,6-7H,5H2,1H3,(H,14,17)/p+1