4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidine-4-carbonyl)benzonitrile CAS Name: 4-[oxo-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidine-4-carbonyl)benzonitrile Traditional Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidine-4-carbonyl)benzonitrile Formula: C19H11N5O MolecularWeight: 325.32354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H11N5O/c20-10-13-6-8-14(9-7-13)18(25)17-16-11-23-24(19(16)22-12-21-17)15-4-2-1-3-5-15/h1-9,11-12H