3-[5-(4-chlorophenyl)-4-oxidanylidene-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(4-chlorophenyl)-4-oxidanylidene-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[5-(4-chlorophenyl)-4-oxo-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[5-(4-chlorophenyl)-4-oxo-6-(2-pyrazinyl)-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[5-(4-chlorophenyl)-4-oxo-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[5-(4-chlorophenyl)-4-keto-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C22H12ClN7O MolecularWeight: 425.82998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=NC=CN=C4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=NC=CN=C4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C22H12ClN7O/c23-15-4-6-16(7-5-15)29-21(19-13-25-8-9-26-19)28-20-18(22(29)31)12-27-30(20)17-3-1-2-14(10-17)11-24/h1-10,12-13H