8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-(1H-pyrazol-4-yl)quinoline

Systemtic Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-(1H-pyrazol-4-yl)quinoline Openeye Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-(1H-pyrazol-4-yl)quinoline CAS Name: 8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-(1H-pyrazol-4-yl)quinoline IUPAC Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-(1H-pyrazol-4-yl)quinoline Traditional Name: 8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-(1H-pyrazol-4-yl)quinoline Formula: C19H15N7S MolecularWeight: 373.4343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N7S/c1-11-3-2-4-12-5-13(16(26-15(11)12)14-6-24-25-7-14)8-27-19-17-18(21-9-20-17)22-10-23-19/h2-7,9-10H,8H2,1H3,(H,24,25)(H,20,21,22,23)