9-cyclohexyl-2-phenyl-6-(phenylmethylsulfanyl)purine

Systemtic Name: 9-cyclohexyl-2-phenyl-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-9-cyclohexyl-2-phenyl-purine CAS Name: 9-cyclohexyl-2-phenyl-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-9-cyclohexyl-2-phenylpurine Traditional Name: 6-(benzylthio)-9-cyclohexyl-2-phenyl-purine Formula: C24H24N4S MolecularWeight: 400.53916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4S/c1-4-10-18(11-5-1)16-29-24-21-23(26-22(27-24)19-12-6-2-7-13-19)28(17-25-21)20-14-8-3-9-15-20/h1-2,4-7,10-13,17,20H,3,8-9,14-16H2