N-[3,4-bis(fluoranyl)phenyl]-9-ethyl-8-pyridin-4-yl-purin-2-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-9-ethyl-8-pyridin-4-yl-purin-2-amine Openeye Name: N-(3,4-difluorophenyl)-9-ethyl-8-(4-pyridyl)purin-2-amine CAS Name: N-(3,4-difluorophenyl)-9-ethyl-8-pyridin-4-yl-2-purinamine IUPAC Name: N-(3,4-difluorophenyl)-9-ethyl-8-pyridin-4-ylpurin-2-amine Traditional Name: (3,4-difluorophenyl)-[9-ethyl-8-(4-pyridyl)purin-2-yl]amine Formula: C18H14F2N6 MolecularWeight: 352.340766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC(=C(C=C3)F)F)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC(=C(C=C3)F)F)C4=CC=NC=C4

InChI

InChI=1S/C18H14F2N6/c1-2-26-16(11-5-7-21-8-6-11)24-15-10-22-18(25-17(15)26)23-12-3-4-13(19)14(20)9-12/h3-10H,2H2,1H3,(H,22,23,25)