2-cyclohexylsulfanyl-9-(phenylmethyl)purine

Systemtic Name: 2-cyclohexylsulfanyl-9-(phenylmethyl)purine Openeye Name: 9-benzyl-2-cyclohexylsulfanyl-purine CAS Name: 2-(cyclohexylthio)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-2-cyclohexylsulfanylpurine Traditional Name: 9-benzyl-2-(cyclohexylthio)purine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC=C3C(=N2)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SC2=NC=C3C(=N2)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4S/c1-3-7-14(8-4-1)12-22-13-20-16-11-19-18(21-17(16)22)23-15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12H2