methyl 2-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoate

Systemtic Name: methyl 2-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoate Openeye Name: methyl 2-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoate CAS Name: 2-(7-cyano-4-phenyl-5-pyrrolo[3,2-d]pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 2-(7-cyano-4-phenylpyrrolo[3,2-d]pyrimidin-5-yl)benzoate Traditional Name: 2-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoic acid methyl ester Formula: C21H14N4O2 MolecularWeight: 354.36146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=C(C3=C2C(=NC=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=C(C3=C2C(=NC=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H14N4O2/c1-27-21(26)16-9-5-6-10-17(16)25-12-15(11-22)19-20(25)18(23-13-24-19)14-7-3-2-4-8-14/h2-10,12-13H,1H3