diethyl 9-(phenylmethyl)purine-2,6-dicarboxylate

Systemtic Name: diethyl 9-(phenylmethyl)purine-2,6-dicarboxylate Openeye Name: diethyl 9-benzylpurine-2,6-dicarboxylate CAS Name: 9-(phenylmethyl)purine-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 9-benzylpurine-2,6-dicarboxylate Traditional Name: 9-benzylpurine-2,6-dicarboxylic acid diethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=NC(=N1)C(=O)OCC)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2C(=NC(=N1)C(=O)OCC)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4/c1-3-25-17(23)14-13-16(21-15(20-14)18(24)26-4-2)22(11-19-13)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3