diethyl 5-cyano-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate

Systemtic Name: diethyl 5-cyano-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate Openeye Name: diethyl 7-benzyl-5-cyano-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate CAS Name: 5-cyano-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 7-benzyl-5-cyanopyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate Traditional Name: 7-benzyl-5-cyano-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylic acid diethyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CN(C2=NC(=N1)C(=O)OCC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C2C(=CN(C2=NC(=N1)C(=O)OCC)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H18N4O4/c1-3-27-19(25)16-15-14(10-21)12-24(11-13-8-6-5-7-9-13)18(15)23-17(22-16)20(26)28-4-2/h5-9,12H,3-4,11H2,1-2H3