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

Systemtic Name: 9-cyclopentyl-2-phenyl-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-9-cyclopentyl-2-phenyl-purine CAS Name: 9-cyclopentyl-2-phenyl-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-9-cyclopentyl-2-phenylpurine Traditional Name: 6-(benzylthio)-9-cyclopentyl-2-phenyl-purine Formula: C23H22N4S MolecularWeight: 386.51258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4S/c1-3-9-17(10-4-1)15-28-23-20-22(27(16-24-20)19-13-7-8-14-19)25-21(26-23)18-11-5-2-6-12-18/h1-6,9-12,16,19H,7-8,13-15H2