N-[[8-chloranyl-2-(5-fluoranyl-2-methoxy-phenyl)quinolin-3-yl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[8-chloranyl-2-(5-fluoranyl-2-methoxy-phenyl)quinolin-3-yl]methyl]-7H-purin-6-amine Openeye Name: N-[[8-chloro-2-(5-fluoro-2-methoxy-phenyl)-3-quinolyl]methyl]-7H-purin-6-amine CAS Name: N-[[8-chloro-2-(5-fluoro-2-methoxyphenyl)-3-quinolinyl]methyl]-7H-purin-6-amine IUPAC Name: N-[[8-chloro-2-(5-fluoro-2-methoxyphenyl)quinolin-3-yl]methyl]-7H-purin-6-amine Traditional Name: [8-chloro-2-(5-fluoro-2-methoxy-phenyl)-3-quinolyl]methyl-(7H-purin-6-yl)amine Formula: C22H16ClFN6O MolecularWeight: 434.853443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C2=C(C=C3C=CC=C(C3=N2)Cl)CNC4=NC=NC5=C4NC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=C(C=C3C=CC=C(C3=N2)Cl)CNC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H16ClFN6O/c1-31-17-6-5-14(24)8-15(17)18-13(7-12-3-2-4-16(23)19(12)30-18)9-25-21-20-22(27-10-26-20)29-11-28-21/h2-8,10-11H,9H2,1H3,(H2,25,26,27,28,29)