6-[4-(4-chlorophenyl)piperidin-1-yl]-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)purine

Systemtic Name: 6-[4-(4-chlorophenyl)piperidin-1-yl]-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)purine Openeye Name: 6-[4-(4-chlorophenyl)-1-piperidyl]-9-(4-isopropyl-2-methylsulfanyl-phenyl)-2-methyl-purine CAS Name: 6-[4-(4-chlorophenyl)-1-piperidinyl]-2-methyl-9-[2-(methylthio)-4-propan-2-ylphenyl]purine IUPAC Name: 6-[4-(4-chlorophenyl)piperidin-1-yl]-2-methyl-9-(2-methylsulfanyl-4-propan-2-ylphenyl)purine Traditional Name: 6-[4-(4-chlorophenyl)piperidino]-9-[4-isopropyl-2-(methylthio)phenyl]-2-methyl-purine Formula: C27H30ClN5S MolecularWeight: 492.0786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC(CC3)C4=CC=C(C=C4)Cl)N=CN2C5=C(C=C(C=C5)C(C)C)SC

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC(CC3)C4=CC=C(C=C4)Cl)N=CN2C5=C(C=C(C=C5)C(C)C)SC

InChI

InChI=1S/C27H30ClN5S/c1-17(2)21-7-10-23(24(15-21)34-4)33-16-29-25-26(30-18(3)31-27(25)33)32-13-11-20(12-14-32)19-5-8-22(28)9-6-19/h5-10,15-17,20H,11-14H2,1-4H3