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

Systemtic Name: 8-(2-azanylpyrimidin-4-yl)-9-ethyl-N-(3-fluoranyl-4-methyl-phenyl)purin-2-amine Openeye Name: 8-(2-aminopyrimidin-4-yl)-9-ethyl-N-(3-fluoro-4-methyl-phenyl)purin-2-amine CAS Name: 8-(2-amino-4-pyrimidinyl)-9-ethyl-N-(3-fluoro-4-methylphenyl)-2-purinamine IUPAC Name: 8-(2-aminopyrimidin-4-yl)-9-ethyl-N-(3-fluoro-4-methylphenyl)purin-2-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-ethyl-purin-2-yl]-(3-fluoro-4-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=CC(=C(C=C3)C)F)C4=NC(=NC=C4)N

Isomeric SMILES

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

InChI

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