2-(2-fluoranyl-6-methoxy-phenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline

Systemtic Name: 2-(2-fluoranyl-6-methoxy-phenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 2-(2-fluoro-6-methoxy-phenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 2-(2-fluoro-6-methoxyphenyl)-8-methyl-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 2-(2-fluoro-6-methoxyphenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 2-(2-fluoro-6-methoxy-phenyl)-8-methyl-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C23H18FN5OS MolecularWeight: 431.485323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=C(C=CC=C3F)OC)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=C(C=CC=C3F)OC)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H18FN5OS/c1-13-5-3-6-14-9-15(10-31-23-21-22(26-11-25-21)27-12-28-23)20(29-19(13)14)18-16(24)7-4-8-17(18)30-2/h3-9,11-12H,10H2,1-2H3,(H,25,26,27,28)