3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methanol

Systemtic Name: 3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methanol Openeye Name: 3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methanol CAS Name: 9-[hydroxy-[3-[(4-methoxyphenyl)-diphenylmethoxy]propoxy]methyl]-N-[(4-methoxyphenyl)-diphenylmethyl]-2-purinesulfenamide IUPAC Name: 3-[(4-methoxyphenyl)-diphenylmethoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]sulfanylpurin-9-yl]methanol Traditional Name: 3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[[(4-methoxyphenyl)-diphenyl-methyl]amino]thio]purin-9-yl]methanol Formula: C49H45N5O5S MolecularWeight: 815.9771

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NSC4=NC=C5C(=N4)N(C=N5)C(O)OCCCOC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NSC4=NC=C5C(=N4)N(C=N5)C(O)OCCCOC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC

InChI

InChI=1S/C49H45N5O5S/c1-56-42-28-24-38(25-29-42)48(36-16-7-3-8-17-36,37-18-9-4-10-19-37)53-60-46-50-34-44-45(52-46)54(35-51-44)47(55)58-32-15-33-59-49(39-20-11-5-12-21-39,40-22-13-6-14-23-40)41-26-30-43(57-2)31-27-41/h3-14,16-31,34-35,47,53,55H,15,32-33H2,1-2H3