6-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentylsulfanyl]-7H-purine

Systemtic Name: 6-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentylsulfanyl]-7H-purine Openeye Name: 6-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentylsulfanyl]-7H-purine CAS Name: 6-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]pentylthio]-7H-purine IUPAC Name: 6-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentylsulfanyl]-7H-purine Traditional Name: 6-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]pentylthio]-7H-purine Formula: C27H28N6O2S2 MolecularWeight: 532.68022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCSC3=NC=NC4=C3NC=N4)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCSC3=NC=NC4=C3NC=N4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H28N6O2S2/c1-34-20-10-6-18(7-11-20)22-23(19-8-12-21(35-2)13-9-19)33-27(32-22)37-15-5-3-4-14-36-26-24-25(29-16-28-24)30-17-31-26/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,32,33)(H,28,29,30,31)