2-methyl-6-[5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)purine

Systemtic Name: 2-methyl-6-[5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)purine Openeye Name: 9-(4-isopropyl-2-methylsulfanyl-phenyl)-2-methyl-6-[5-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]purine CAS Name: 2-methyl-6-[5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-9-[2-(methylthio)-4-propan-2-ylphenyl]purine IUPAC Name: 2-methyl-6-[5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-9-(2-methylsulfanyl-4-propan-2-ylphenyl)purine Traditional Name: 9-[4-isopropyl-2-(methylthio)phenyl]-2-methyl-6-[5-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]purine Formula: C28H31N5S MolecularWeight: 469.64424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CCCN(C2)C3=NC(=NC4=C3N=CN4C5=C(C=C(C=C5)C(C)C)SC)C

Isomeric SMILES

CC1=CC=CC=C1C2=CCCN(C2)C3=NC(=NC4=C3N=CN4C5=C(C=C(C=C5)C(C)C)SC)C

InChI

InChI=1S/C28H31N5S/c1-18(2)21-12-13-24(25(15-21)34-5)33-17-29-26-27(30-20(4)31-28(26)33)32-14-8-10-22(16-32)23-11-7-6-9-19(23)3/h6-7,9-13,15,17-18H,8,14,16H2,1-5H3