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

Systemtic Name: 8-methyl-2-(1-methylpyrazol-4-yl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 8-methyl-2-(1-methylpyrazol-4-yl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 8-methyl-2-(1-methyl-4-pyrazolyl)-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 8-methyl-2-(1-methylpyrazol-4-yl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 8-methyl-2-(1-methylpyrazol-4-yl)-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C20H17N7S MolecularWeight: 387.46088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7S/c1-12-4-3-5-13-6-14(17(26-16(12)13)15-7-25-27(2)8-15)9-28-20-18-19(22-10-21-18)23-11-24-20/h3-8,10-11H,9H2,1-2H3,(H,21,22,23,24)