3-[(1-methyl-4-phenylazanyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(1-methyl-4-phenylazanyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenecarbonitrile Openeye Name: 3-[(4-anilino-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzonitrile CAS Name: 3-[(4-anilino-1-methyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 3-[(4-anilino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzonitrile Traditional Name: 3-[(4-anilino-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzonitrile Formula: C19H15N7 MolecularWeight: 341.3693

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC=CC(=C3)C#N)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC=CC(=C3)C#N)NC4=CC=CC=C4

InChI

InChI=1S/C19H15N7/c1-26-18-16(12-21-26)17(22-14-7-3-2-4-8-14)24-19(25-18)23-15-9-5-6-13(10-15)11-20/h2-10,12H,1H3,(H2,22,23,24,25)