triethyl 4-[6-(methylamino)purin-9-yl]butane-1,1,1-tricarboxylate

Systemtic Name: triethyl 4-[6-(methylamino)purin-9-yl]butane-1,1,1-tricarboxylate Openeye Name: triethyl 4-[6-(methylamino)purin-9-yl]butane-1,1,1-tricarboxylate CAS Name: 4-[6-(methylamino)-9-purinyl]butane-1,1,1-tricarboxylic acid triethyl ester IUPAC Name: triethyl 4-[6-(methylamino)purin-9-yl]butane-1,1,1-tricarboxylate Traditional Name: 4-[6-(methylamino)purin-9-yl]butane-1,1,1-tricarboxylic acid triethyl ester Formula: C19H27N5O6 MolecularWeight: 421.44758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN1C=NC2=C1N=CN=C2NC)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCN1C=NC2=C1N=CN=C2NC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H27N5O6/c1-5-28-16(25)19(17(26)29-6-2,18(27)30-7-3)9-8-10-24-12-23-13-14(20-4)21-11-22-15(13)24/h11-12H,5-10H2,1-4H3,(H,20,21,22)