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

Systemtic Name: 8-methyl-2-(2-phenylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 8-methyl-2-(2-phenylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 8-methyl-2-(2-phenylphenyl)-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 8-methyl-2-(2-phenylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 8-methyl-2-(2-phenylphenyl)-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C28H21N5S MolecularWeight: 459.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CC=C3C4=CC=CC=C4)CSC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CC=C3C4=CC=CC=C4)CSC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C28H21N5S/c1-18-8-7-11-20-14-21(15-34-28-26-27(30-16-29-26)31-17-32-28)25(33-24(18)20)23-13-6-5-12-22(23)19-9-3-2-4-10-19/h2-14,16-17H,15H2,1H3,(H,29,30,31,32)