4-oxidanylidene-4-[(2-oxidanylidene-1,7-dihydropurin-6-yl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanylidene-1,7-dihydropurin-6-yl)amino]butanoic acid Openeye Name: 4-oxo-4-[(2-oxo-1,7-dihydropurin-6-yl)amino]butanoic acid CAS Name: 4-oxo-4-[(2-oxo-1,7-dihydropurin-6-yl)amino]butanoic acid IUPAC Name: 4-oxo-4-[(2-oxo-1,7-dihydropurin-6-yl)amino]butanoic acid Traditional Name: 4-keto-4-[(2-keto-1,7-dihydropurin-6-yl)amino]butyric acid Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=O)NC(=C2N1)NC(=O)CCC(=O)O

Isomeric SMILES

C1=NC2=NC(=O)NC(=C2N1)NC(=O)CCC(=O)O

InChI

InChI=1S/C9H9N5O4/c15-4(1-2-5(16)17)12-8-6-7(11-3-10-6)13-9(18)14-8/h3H,1-2H2,(H,16,17)(H3,10,11,12,13,14,15,18)