2-azanyl-3-sulfanyl-propanoic acid; 3,7-dihydropurine-6-thione

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 3,7-dihydropurine-6-thione Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 3,7-dihydropurine-6-thione CAS Name: 2-amino-3-mercaptopropanoic acid; 3,7-dihydropurine-6-thione IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 3,7-dihydropurine-6-thione Traditional Name: 2-amino-3-mercapto-propionic acid; 3,7-dihydropurine-6-thione Formula: C8H11N5O2S2 MolecularWeight: 273.33524

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=S)N=CN2.C(C(C(=O)O)N)S

Isomeric SMILES

C1=NC2=C(N1)C(=S)N=CN2.C(C(C(=O)O)N)S

InChI

InChI=1S/C5H4N4S.C3H7NO2S/c10-5-3-4(7-1-6-3)8-2-9-5;4-2(1-7)3(5)6/h1-2H,(H2,6,7,8,9,10);2,7H,1,4H2,(H,5,6)