N-[[3,5-bis(fluoranyl)phenyl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine

Systemtic Name: N-[[3,5-bis(fluoranyl)phenyl]methyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine Openeye Name: N-[(3,5-difluorophenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine CAS Name: N-[(3,5-difluorophenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinamine IUPAC Name: N-[(3,5-difluorophenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine Traditional Name: (3,5-difluorobenzyl)-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amine Formula: C18H13F2N5 MolecularWeight: 337.326126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC=C2C3=CC(=NC=N3)NCC4=CC(=CC(=C4)F)F)N=C1

Isomeric SMILES

C1=CC2=C(NC=C2C3=CC(=NC=N3)NCC4=CC(=CC(=C4)F)F)N=C1

InChI

InChI=1S/C18H13F2N5/c19-12-4-11(5-13(20)6-12)8-22-17-7-16(24-10-25-17)15-9-23-18-14(15)2-1-3-21-18/h1-7,9-10H,8H2,(H,21,23)(H,22,24,25)