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

Systemtic Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-pyridin-4-yl-quinoline Openeye Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-(4-pyridyl)quinoline CAS Name: 8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-pyridin-4-ylquinoline IUPAC Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-pyridin-4-ylquinoline Traditional Name: 8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-(4-pyridyl)quinoline Formula: C21H16N6S MolecularWeight: 384.45694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6S/c1-13-3-2-4-15-9-16(18(27-17(13)15)14-5-7-22-8-6-14)10-28-21-19-20(24-11-23-19)25-12-26-21/h2-9,11-12H,10H2,1H3,(H,23,24,25,26)