8-(2-azanylpyrimidin-4-yl)-N-[2,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-amine

Systemtic Name: 8-(2-azanylpyrimidin-4-yl)-N-[2,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-amine Openeye Name: 8-(2-aminopyrimidin-4-yl)-N-(2,5-difluorophenyl)-9-ethyl-purin-2-amine CAS Name: 8-(2-amino-4-pyrimidinyl)-N-(2,5-difluorophenyl)-9-ethyl-2-purinamine IUPAC Name: 8-(2-aminopyrimidin-4-yl)-N-(2,5-difluorophenyl)-9-ethylpurin-2-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-ethyl-purin-2-yl]-(2,5-difluorophenyl)amine Formula: C17H14F2N8 MolecularWeight: 368.343466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F2N8/c1-2-27-14(11-5-6-21-16(20)24-11)23-13-8-22-17(26-15(13)27)25-12-7-9(18)3-4-10(12)19/h3-8H,2H2,1H3,(H2,20,21,24)(H,22,25,26)