4-[8-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]butanoic acid

Systemtic Name: 4-[8-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]butanoic acid Openeye Name: 4-(8-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid CAS Name: 4-(8-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid IUPAC Name: 4-(8-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid Traditional Name: 4-(2,6-diketo-8-methyl-7H-purin-3-yl)butyric acid Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)NC(=O)N2CCCC(=O)O

Isomeric SMILES

CC1=NC2=C(N1)C(=O)NC(=O)N2CCCC(=O)O

InChI

InChI=1S/C10H12N4O4/c1-5-11-7-8(12-5)14(4-2-3-6(15)16)10(18)13-9(7)17/h2-4H2,1H3,(H,11,12)(H,15,16)(H,13,17,18)