4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-1-yl]butanoic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-1-yl]butanoic acid Openeye Name: 4-(2,6-dioxo-3,7-dihydropurin-1-yl)butanoic acid CAS Name: 4-(2,6-dioxo-3,7-dihydropurin-1-yl)butanoic acid IUPAC Name: 4-(2,6-dioxo-3,7-dihydropurin-1-yl)butanoic acid Traditional Name: 4-(2,6-diketo-3,7-dihydropurin-1-yl)butyric acid Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C(=O)N2)CCCC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C(=O)N2)CCCC(=O)O

InChI

InChI=1S/C9H10N4O4/c14-5(15)2-1-3-13-8(16)6-7(11-4-10-6)12-9(13)17/h4H,1-3H2,(H,10,11)(H,12,17)(H,14,15)