3-[4-[(4-methoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(4-methoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[(4-methoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-[(4-methoxyphenyl)methylamino]-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[(4-methoxyphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-(p-anisylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C20H16N6O MolecularWeight: 356.38064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H16N6O/c1-27-17-7-5-14(6-8-17)11-22-19-18-12-25-26(20(18)24-13-23-19)16-4-2-3-15(9-16)10-21/h2-9,12-13H,11H2,1H3,(H,22,23,24)