4-[4-[(2-azanylpyrimidin-4-yl)amino]-2-fluoranyl-phenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Systemtic Name: 4-[4-[(2-azanylpyrimidin-4-yl)amino]-2-fluoranyl-phenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile Openeye Name: 4-[4-[(2-aminopyrimidin-4-yl)amino]-2-fluoro-phenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile CAS Name: 4-[4-[(2-amino-4-pyrimidinyl)amino]-2-fluorophenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile IUPAC Name: 4-[4-[(2-aminopyrimidin-4-yl)amino]-2-fluorophenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile Traditional Name: 4-[4-[(2-aminopyrimidin-4-yl)amino]-2-fluoro-phenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile Formula: C18H12FN7O MolecularWeight: 361.332583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2)N)F)OC3=C4C(=CNC4=NC=C3)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2)N)F)OC3=C4C(=CNC4=NC=C3)C#N

InChI

InChI=1S/C18H12FN7O/c19-12-7-11(25-15-4-6-23-18(21)26-15)1-2-13(12)27-14-3-5-22-17-16(14)10(8-20)9-24-17/h1-7,9H,(H,22,24)(H3,21,23,25,26)