8-methyl-2-(4-methylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline

Systemtic Name: 8-methyl-2-(4-methylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 8-methyl-2-(p-tolyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 8-methyl-2-(4-methylphenyl)-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 8-methyl-2-(4-methylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 8-methyl-2-(p-tolyl)-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C23H19N5S MolecularWeight: 397.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C3C=CC=C(C3=N2)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C3C=CC=C(C3=N2)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H19N5S/c1-14-6-8-16(9-7-14)20-18(10-17-5-3-4-15(2)19(17)28-20)11-29-23-21-22(25-12-24-21)26-13-27-23/h3-10,12-13H,11H2,1-2H3,(H,24,25,26,27)