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

Systemtic Name: 2-azanyl-3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid Openeye Name: 2-amino-3-(6-thioxo-3H-purin-9-yl)propanoic acid CAS Name: 2-amino-3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid IUPAC Name: 2-amino-3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid Traditional Name: 2-amino-3-(6-thioxo-3H-purin-9-yl)propionic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CC(C(=O)O)N

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CC(C(=O)O)N

InChI

InChI=1S/C8H9N5O2S/c9-4(8(14)15)1-13-3-12-5-6(13)10-2-11-7(5)16/h2-4H,1,9H2,(H,14,15)(H,10,11,16)