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

Systemtic Name: 5-(1,3-dimethyl-2-oxidanylidene-6H-purin-7-yl)pentanoic acid Openeye Name: 5-(1,3-dimethyl-2-oxo-6H-purin-7-yl)pentanoic acid CAS Name: 5-(1,3-dimethyl-2-oxo-6H-purin-7-yl)pentanoic acid IUPAC Name: 5-(1,3-dimethyl-2-oxo-6H-purin-7-yl)pentanoic acid Traditional Name: 5-(2-keto-1,3-dimethyl-6H-purin-7-yl)valeric acid Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2CCCCC(=O)O)N(C1=O)C

Isomeric SMILES

CN1CC2=C(N=CN2CCCCC(=O)O)N(C1=O)C

InChI

InChI=1S/C12H18N4O3/c1-14-7-9-11(15(2)12(14)19)13-8-16(9)6-4-3-5-10(17)18/h8H,3-7H2,1-2H3,(H,17,18)