2-(2-chlorophenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline

Systemtic Name: 2-(2-chlorophenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 2-(2-chlorophenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 2-(2-chlorophenyl)-8-methyl-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 2-(2-chlorophenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 2-(2-chlorophenyl)-8-methyl-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C22H16ClN5S MolecularWeight: 417.91394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5S/c1-13-5-4-6-14-9-15(10-29-22-20-21(25-11-24-20)26-12-27-22)19(28-18(13)14)16-7-2-3-8-17(16)23/h2-9,11-12H,10H2,1H3,(H,24,25,26,27)