triethyl 3-(2-azanylpurin-9-yl)propane-1,1,1-tricarboxylate

Systemtic Name: triethyl 3-(2-azanylpurin-9-yl)propane-1,1,1-tricarboxylate Openeye Name: triethyl 3-(2-aminopurin-9-yl)propane-1,1,1-tricarboxylate CAS Name: 3-(2-amino-9-purinyl)propane-1,1,1-tricarboxylic acid triethyl ester IUPAC Name: triethyl 3-(2-aminopurin-9-yl)propane-1,1,1-tricarboxylate Traditional Name: 3-(2-aminopurin-9-yl)propane-1,1,1-tricarboxylic acid triethyl ester Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O6/c1-4-26-13(23)17(14(24)27-5-2,15(25)28-6-3)7-8-22-10-20-11-9-19-16(18)21-12(11)22/h9-10H,4-8H2,1-3H3,(H2,18,19,21)