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

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 2-(2-chloro-6-fluorophenyl)-8-methyl-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 2-(2-chloro-6-fluorophenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-8-methyl-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C22H15ClFN5S MolecularWeight: 435.904403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=C(C=CC=C3Cl)F)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=C(C=CC=C3Cl)F)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H15ClFN5S/c1-12-4-2-5-13-8-14(9-30-22-20-21(26-10-25-20)27-11-28-22)19(29-18(12)13)17-15(23)6-3-7-16(17)24/h2-8,10-11H,9H2,1H3,(H,25,26,27,28)