N-[2-[8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinolin-2-yl]phenyl]ethanamide

Systemtic Name: N-[2-[8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinolin-2-yl]phenyl]ethanamide Openeye Name: N-[2-[8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-quinolyl]phenyl]acetamide CAS Name: N-[2-[8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-quinolinyl]phenyl]acetamide IUPAC Name: N-[2-[8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinolin-2-yl]phenyl]acetamide Traditional Name: N-[2-[8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-quinolyl]phenyl]acetamide Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CC=C3NC(=O)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CC=C3NC(=O)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C24H20N6OS/c1-14-6-5-7-16-10-17(11-32-24-22-23(26-12-25-22)27-13-28-24)21(30-20(14)16)18-8-3-4-9-19(18)29-15(2)31/h3-10,12-13H,11H2,1-2H3,(H,29,31)(H,25,26,27,28)