N3-[2-fluoranyl-9-[2-(4-phenylmethoxyphenyl)ethyl]purin-6-yl]benzene-1,3-diamine

Systemtic Name: N3-[2-fluoranyl-9-[2-(4-phenylmethoxyphenyl)ethyl]purin-6-yl]benzene-1,3-diamine Openeye Name: N3-[9-[2-(4-benzyloxyphenyl)ethyl]-2-fluoro-purin-6-yl]benzene-1,3-diamine CAS Name: N3-[2-fluoro-9-[2-(4-phenylmethoxyphenyl)ethyl]-6-purinyl]benzene-1,3-diamine IUPAC Name: 3-N-[2-fluoro-9-[2-(4-phenylmethoxyphenyl)ethyl]purin-6-yl]benzene-1,3-diamine Traditional Name: (3-aminophenyl)-[9-[2-(4-benzoxyphenyl)ethyl]-2-fluoro-purin-6-yl]amine Formula: C26H23FN6O MolecularWeight: 454.498823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN3C=NC4=C3N=C(N=C4NC5=CC=CC(=C5)N)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN3C=NC4=C3N=C(N=C4NC5=CC=CC(=C5)N)F

InChI

InChI=1S/C26H23FN6O/c27-26-31-24(30-21-8-4-7-20(28)15-21)23-25(32-26)33(17-29-23)14-13-18-9-11-22(12-10-18)34-16-19-5-2-1-3-6-19/h1-12,15,17H,13-14,16,28H2,(H,30,31,32)