5-fluoranyl-8-methyl-2-(2-methylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline

Systemtic Name: 5-fluoranyl-8-methyl-2-(2-methylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 5-fluoro-8-methyl-2-(o-tolyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 5-fluoro-8-methyl-2-(2-methylphenyl)-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 5-fluoro-8-methyl-2-(2-methylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 5-fluoro-8-methyl-2-(o-tolyl)-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C23H18FN5S MolecularWeight: 415.485923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)F)C=C(C(=N2)C3=CC=CC=C3C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=C(C=C1)F)C=C(C(=N2)C3=CC=CC=C3C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H18FN5S/c1-13-5-3-4-6-16(13)20-15(9-17-18(24)8-7-14(2)19(17)29-20)10-30-23-21-22(26-11-25-21)27-12-28-23/h3-9,11-12H,10H2,1-2H3,(H,25,26,27,28)