5-(4-ethanoylphenyl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(4-ethanoylphenyl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(4-acetylphenyl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(4-acetylphenyl)-4-phenyl-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(4-acetylphenyl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(4-acetylphenyl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H14N4O MolecularWeight: 338.36206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O/c1-14(26)15-7-9-18(10-8-15)25-12-17(11-22)20-21(25)19(23-13-24-20)16-5-3-2-4-6-16/h2-10,12-13H,1H3