7-azanyl-3-[[5-(hydroxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[[5-(hydroxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[5-(hydroxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[5-(hydroxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[5-(hydroxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(2-methyl-5-methylol-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N6O4S2 MolecularWeight: 408.45534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=N1)CO)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O

Isomeric SMILES

CC1=NN2C(=CC(=NC2=N1)CO)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O

InChI

InChI=1S/C15H16N6O4S2/c1-6-17-15-18-8(3-22)2-9(21(15)19-6)26-4-7-5-27-13-10(16)12(23)20(13)11(7)14(24)25/h2,10,13,22H,3-5,16H2,1H3,(H,24,25)