4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-butanoic acid

Systemtic Name: 4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-butanoic acid Openeye Name: 4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-butanoic acid CAS Name: 4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxybutanoic acid IUPAC Name: 4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxybutanoic acid Traditional Name: 4-(2-amino-6-keto-3H-purin-9-yl)-2-hydroxy-butyric acid Formula: C9H11N5O4 MolecularWeight: 253.21474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(C(=O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(C(=O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H11N5O4/c10-9-12-6-5(7(16)13-9)11-3-14(6)2-1-4(15)8(17)18/h3-4,15H,1-2H2,(H,17,18)(H3,10,12,13,16)