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

Systemtic Name: 8-methyl-2-(2-propan-2-ylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Openeye Name: 2-(2-isopropylphenyl)-8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinoline CAS Name: 8-methyl-2-(2-propan-2-ylphenyl)-3-[(7H-purin-6-ylthio)methyl]quinoline IUPAC Name: 8-methyl-2-(2-propan-2-ylphenyl)-3-(7H-purin-6-ylsulfanylmethyl)quinoline Traditional Name: 8-methyl-2-o-cumenyl-3-[(7H-purin-6-ylthio)methyl]quinoline Formula: C25H23N5S MolecularWeight: 425.54862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CC=C3C(C)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=CC=CC=C3C(C)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C25H23N5S/c1-15(2)19-9-4-5-10-20(19)22-18(11-17-8-6-7-16(3)21(17)30-22)12-31-25-23-24(27-13-26-23)28-14-29-25/h4-11,13-15H,12H2,1-3H3,(H,26,27,28,29)