ethyl 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]butanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]butanoate Openeye Name: ethyl 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]butanoate CAS Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]butanoate Traditional Name: 4-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]butyric acid ethyl ester Formula: C14H20N6O4 MolecularWeight: 336.3464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCOC(=O)CCCNC(=O)CCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C14H20N6O4/c1-2-24-10(22)4-3-6-16-9(21)5-7-20-8-17-11-12(20)18-14(15)19-13(11)23/h8H,2-7H2,1H3,(H,16,21)(H3,15,18,19,23)