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

Systemtic Name: 5-(4-ethanoylphenyl)-4-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(4-acetylphenyl)-4-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(4-acetylphenyl)-4-(4-fluorophenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(4-acetylphenyl)-4-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(4-acetylphenyl)-4-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H13FN4O MolecularWeight: 356.352523

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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=C(C=C4)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H13FN4O/c1-13(27)14-4-8-18(9-5-14)26-11-16(10-23)20-21(26)19(24-12-25-20)15-2-6-17(22)7-3-15/h2-9,11-12H,1H3