diethyl 2-[2-(2-azanylpurin-9-yl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-(2-azanylpurin-9-yl)ethyl]propanedioate Openeye Name: diethyl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate CAS Name: 2-[2-(2-amino-9-purinyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-aminopurin-9-yl)ethyl]malonic acid diethyl ester Formula: C14H19N5O4 MolecularWeight: 321.33176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=NC2=CN=C(N=C21)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=NC2=CN=C(N=C21)N)C(=O)OCC

InChI

InChI=1S/C14H19N5O4/c1-3-22-12(20)9(13(21)23-4-2)5-6-19-8-17-10-7-16-14(15)18-11(10)19/h7-9H,3-6H2,1-2H3,(H2,15,16,18)