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

Systemtic Name: 4-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butanoic acid Openeye Name: 4-(3-methyl-2,6-dioxo-purin-7-yl)butanoic acid CAS Name: 4-(3-methyl-2,6-dioxo-7-purinyl)butanoic acid IUPAC Name: 4-(3-methyl-2,6-dioxopurin-7-yl)butanoic acid Traditional Name: 4-(2,6-diketo-3-methyl-purin-7-yl)butyric acid Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC(=O)O

InChI

InChI=1S/C10H12N4O4/c1-13-8-7(9(17)12-10(13)18)14(5-11-8)4-2-3-6(15)16/h5H,2-4H2,1H3,(H,15,16)(H,12,17,18)