3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methanol

Systemtic Name: 3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methanol Openeye Name: 3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methanol CAS Name: 3-[(4-methoxyphenyl)-diphenylmethoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-(methylthio)-9-purinyl]methanol IUPAC Name: 3-[(4-methoxyphenyl)-diphenylmethoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-methylsulfanylpurin-9-yl]methanol Traditional Name: 3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-(methylthio)purin-9-yl]methanol Formula: C50H47N5O5S MolecularWeight: 830.00368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)SC)N=CN5C(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)NC4=NC5=C(C(=N4)SC)N=CN5C(O)OCCCOC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC

InChI

InChI=1S/C50H47N5O5S/c1-57-42-29-25-38(26-30-42)49(36-17-8-4-9-18-36,37-19-10-5-11-20-37)54-47-52-45-44(46(53-47)61-3)51-35-55(45)48(56)59-33-16-34-60-50(39-21-12-6-13-22-39,40-23-14-7-15-24-40)41-27-31-43(58-2)32-28-41/h4-15,17-32,35,48,56H,16,33-34H2,1-3H3,(H,52,53,54)