6-(1-hydroxyethyl)-7-oxidanylidene-3-purin-9-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-purin-9-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-purin-9-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(9-purinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-purin-9-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-purin-9-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)N3C=NC4=CN=CN=C43)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)N3C=NC4=CN=CN=C43)C(=O)O)O

InChI

InChI=1S/C13H11N5O4S/c1-5(19)7-10(20)18-8(13(21)22)12(23-11(7)18)17-4-16-6-2-14-3-15-9(6)17/h2-5,7,11,19H,1H3,(H,21,22)