4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]butanoic acid

Systemtic Name: 4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]butanoic acid Openeye Name: 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]butanoic acid CAS Name: 4-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]butanoic acid IUPAC Name: 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]butanoic acid Traditional Name: 4-[3-(6-keto-3H-purin-9-yl)propanoylamino]butyric acid Formula: C12H15N5O4 MolecularWeight: 293.2786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H15N5O4/c18-8(13-4-1-2-9(19)20)3-5-17-7-16-10-11(17)14-6-15-12(10)21/h6-7H,1-5H2,(H,13,18)(H,19,20)(H,14,15,21)