triethyl 5-[6-(methylamino)purin-9-yl]pentane-1,1,1-tricarboxylate

Systemtic Name: triethyl 5-[6-(methylamino)purin-9-yl]pentane-1,1,1-tricarboxylate Openeye Name: triethyl 5-[6-(methylamino)purin-9-yl]pentane-1,1,1-tricarboxylate CAS Name: 5-[6-(methylamino)-9-purinyl]pentane-1,1,1-tricarboxylic acid triethyl ester IUPAC Name: triethyl 5-[6-(methylamino)purin-9-yl]pentane-1,1,1-tricarboxylate Traditional Name: 5-[6-(methylamino)purin-9-yl]pentane-1,1,1-tricarboxylic acid triethyl ester Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=NC2=C1N=CN=C2NC)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCN1C=NC2=C1N=CN=C2NC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H29N5O6/c1-5-29-17(26)20(18(27)30-6-2,19(28)31-7-3)10-8-9-11-25-13-24-14-15(21-4)22-12-23-16(14)25/h12-13H,5-11H2,1-4H3,(H,21,22,23)