5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid

Systemtic Name: 5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid Openeye Name: 5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)pentanoic acid CAS Name: 5-(3,7-dimethyl-2,6-dioxo-1-purinyl)pentanoic acid IUPAC Name: 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoic acid Traditional Name: 5-(2,6-diketo-3,7-dimethyl-purin-1-yl)valeric acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O

InChI

InChI=1S/C12H16N4O4/c1-14-7-13-10-9(14)11(19)16(12(20)15(10)2)6-4-3-5-8(17)18/h7H,3-6H2,1-2H3,(H,17,18)