diethyl 6-oxidanylidene-9-(phenylmethyl)-1,3-dihydropurine-2,2-dicarboxylate

Systemtic Name: diethyl 6-oxidanylidene-9-(phenylmethyl)-1,3-dihydropurine-2,2-dicarboxylate Openeye Name: diethyl 9-benzyl-6-oxo-1,3-dihydropurine-2,2-dicarboxylate CAS Name: 6-oxo-9-(phenylmethyl)-1,3-dihydropurine-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 9-benzyl-6-oxo-1,3-dihydropurine-2,2-dicarboxylate Traditional Name: 9-benzyl-6-keto-1,3-dihydropurine-2,2-dicarboxylic acid diethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(NC2=C(C(=O)N1)N=CN2CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(NC2=C(C(=O)N1)N=CN2CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C18H20N4O5/c1-3-26-16(24)18(17(25)27-4-2)20-14-13(15(23)21-18)19-11-22(14)10-12-8-6-5-7-9-12/h5-9,11,20H,3-4,10H2,1-2H3,(H,21,23)