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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(=O)O

InChI

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