2-[4-azanyl-3-(4-azanyl-3-fluoranyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-azanyl-3-(4-azanyl-3-fluoranyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-amino-3-(4-amino-3-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-amino-3-(4-amino-3-fluorophenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-amino-3-(4-amino-3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-amino-3-(4-amino-3-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]nicotinonitrile Formula: C17H11FN8 MolecularWeight: 346.321243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N)C#N

Isomeric SMILES

C1=CC(=C(N=C1)N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N)C#N

InChI

InChI=1S/C17H11FN8/c18-11-6-9(3-4-12(11)20)14-13-15(21)23-8-24-17(13)26(25-14)16-10(7-19)2-1-5-22-16/h1-6,8H,20H2,(H2,21,23,24)