8-(2-azanylpyrimidin-4-yl)-9-ethyl-N-(3-fluoranyl-2-methyl-phenyl)purin-2-amine

Systemtic Name: 8-(2-azanylpyrimidin-4-yl)-9-ethyl-N-(3-fluoranyl-2-methyl-phenyl)purin-2-amine Openeye Name: 8-(2-aminopyrimidin-4-yl)-9-ethyl-N-(3-fluoro-2-methyl-phenyl)purin-2-amine CAS Name: 8-(2-amino-4-pyrimidinyl)-9-ethyl-N-(3-fluoro-2-methylphenyl)-2-purinamine IUPAC Name: 8-(2-aminopyrimidin-4-yl)-9-ethyl-N-(3-fluoro-2-methylphenyl)purin-2-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-ethyl-purin-2-yl]-(3-fluoro-2-methyl-phenyl)amine Formula: C18H17FN8 MolecularWeight: 364.379583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN8/c1-3-27-15(13-7-8-21-17(20)24-13)23-14-9-22-18(26-16(14)27)25-12-6-4-5-11(19)10(12)2/h4-9H,3H2,1-2H3,(H2,20,21,24)(H,22,25,26)