8-(2-azanylpyrimidin-4-yl)-N-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-amine

Systemtic Name: 8-(2-azanylpyrimidin-4-yl)-N-[3,5-bis(fluoranyl)phenyl]-9-ethyl-purin-2-amine Openeye Name: 8-(2-aminopyrimidin-4-yl)-N-(3,5-difluorophenyl)-9-ethyl-purin-2-amine CAS Name: 8-(2-amino-4-pyrimidinyl)-N-(3,5-difluorophenyl)-9-ethyl-2-purinamine IUPAC Name: 8-(2-aminopyrimidin-4-yl)-N-(3,5-difluorophenyl)-9-ethylpurin-2-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-ethyl-purin-2-yl]-(3,5-difluorophenyl)amine Formula: C17H14F2N8 MolecularWeight: 368.343466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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