3-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-amino-6-thioxo-3H-purin-9-yl)-2-hydroxy-propanoic acid CAS Name: 3-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-hydroxypropanoic acid IUPAC Name: 3-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-hydroxypropanoic acid Traditional Name: 3-(2-amino-6-thioxo-3H-purin-9-yl)-2-hydroxy-propionic acid Formula: C8H9N5O3S MolecularWeight: 255.25376

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(C(=O)O)O)NC(=NC2=S)N

Isomeric SMILES

C1=NC2=C(N1CC(C(=O)O)O)NC(=NC2=S)N

InChI

InChI=1S/C8H9N5O3S/c9-8-11-5-4(6(17)12-8)10-2-13(5)1-3(14)7(15)16/h2-3,14H,1H2,(H,15,16)(H3,9,11,12,17)