N4-[3-fluoranyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-[3-fluoranyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: (2-aminopyrimidin-4-yl)-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]amine Formula: C17H14FN7 MolecularWeight: 335.338363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2)N)F)NC3=C4C=CNC4=NC=C3

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2)N)F)NC3=C4C=CNC4=NC=C3

InChI

InChI=1S/C17H14FN7/c18-12-9-10(23-15-5-8-22-17(19)25-15)1-2-14(12)24-13-4-7-21-16-11(13)3-6-20-16/h1-9H,(H2,20,21,24)(H3,19,22,23,25)