2-azanyl-4-methylsulfanyl-butanoic acid; 3,7-dihydropurine-2,6-dione; 2,3,4-tris(oxidanyl)butanal

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 3,7-dihydropurine-2,6-dione; 2,3,4-tris(oxidanyl)butanal Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 3,7-dihydropurine-2,6-dione; 2,3,4-trihydroxybutanal CAS Name: 2-amino-4-(methylthio)butanoic acid; 3,7-dihydropurine-2,6-dione; 2,3,4-trihydroxybutanal IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 3,7-dihydropurine-2,6-dione; 2,3,4-trihydroxybutanal Traditional Name: 2-amino-4-(methylthio)butyric acid; 2,3,4-trihydroxybutyraldehyde; xanthine Formula: C14H23N5O8S MolecularWeight: 421.42612

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1=NC2=C(N1)C(=O)NC(=O)N2.C(C(C(C=O)O)O)O

Isomeric SMILES

CSCCC(C(=O)O)N.C1=NC2=C(N1)C(=O)NC(=O)N2.C(C(C(C=O)O)O)O

InChI

InChI=1S/C5H4N4O2.C5H11NO2S.C4H8O4/c10-4-2-3(7-1-6-2)8-5(11)9-4;1-9-3-2-4(6)5(7)8;5-1-3(7)4(8)2-6/h1H,(H3,6,7,8,9,10,11);4H,2-3,6H2,1H3,(H,7,8);1,3-4,6-8H,2H2