triethyl 6-[6-(methylamino)purin-9-yl]hexane-1,1,1-tricarboxylate

Systemtic Name: triethyl 6-[6-(methylamino)purin-9-yl]hexane-1,1,1-tricarboxylate Openeye Name: triethyl 6-[6-(methylamino)purin-9-yl]hexane-1,1,1-tricarboxylate CAS Name: 6-[6-(methylamino)-9-purinyl]hexane-1,1,1-tricarboxylic acid triethyl ester IUPAC Name: triethyl 6-[6-(methylamino)purin-9-yl]hexane-1,1,1-tricarboxylate Traditional Name: 6-[6-(methylamino)purin-9-yl]hexane-1,1,1-tricarboxylic acid triethyl ester Formula: C21H31N5O6 MolecularWeight: 449.50074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCN1C=NC2=C1N=CN=C2NC)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCCN1C=NC2=C1N=CN=C2NC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H31N5O6/c1-5-30-18(27)21(19(28)31-6-2,20(29)32-7-3)11-9-8-10-12-26-14-25-15-16(22-4)23-13-24-17(15)26/h13-14H,5-12H2,1-4H3,(H,22,23,24)