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

Systemtic Name: ethyl 4-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoate Openeye Name: ethyl 4-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoate CAS Name: 4-(7-cyano-4-phenyl-5-pyrrolo[3,2-d]pyrimidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(7-cyano-4-phenylpyrrolo[3,2-d]pyrimidin-5-yl)benzoate Traditional Name: 4-(7-cyano-4-phenyl-pyrrolo[3,2-d]pyrimidin-5-yl)benzoic acid ethyl ester Formula: C22H16N4O2 MolecularWeight: 368.38804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H16N4O2/c1-2-28-22(27)16-8-10-18(11-9-16)26-13-17(12-23)20-21(26)19(24-14-25-20)15-6-4-3-5-7-15/h3-11,13-14H,2H2,1H3