2-azanyl-9-[3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-oxidanyl-methyl]-1-[(4-methoxyphenyl)-diphenyl-methyl]-7,8-dihydropurin-6-one

Systemtic Name: 2-azanyl-9-[3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy-oxidanyl-methyl]-1-[(4-methoxyphenyl)-diphenyl-methyl]-7,8-dihydropurin-6-one Openeye Name: 2-amino-9-[hydroxy-[3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy]methyl]-1-[(4-methoxyphenyl)-diphenyl-methyl]-7,8-dihydropurin-6-one CAS Name: 2-amino-9-[hydroxy-[3-[(4-methoxyphenyl)-diphenylmethoxy]propoxy]methyl]-1-[(4-methoxyphenyl)-diphenylmethyl]-7,8-dihydropurin-6-one IUPAC Name: 2-amino-9-[hydroxy-[3-[(4-methoxyphenyl)-diphenylmethoxy]propoxy]methyl]-1-[(4-methoxyphenyl)-diphenylmethyl]-7,8-dihydropurin-6-one Traditional Name: 2-amino-9-[hydroxy-[3-[(4-methoxyphenyl)-diphenyl-methoxy]propoxy]methyl]-1-[(4-methoxyphenyl)-diphenyl-methyl]-7,8-dihydropurin-6-one Formula: C49H47N5O6 MolecularWeight: 801.92738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=O)C5=C(N=C4N)N(CN5)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)N4C(=O)C5=C(N=C4N)N(CN5)C(O)OCCCOC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=C(C=C8)OC

InChI

InChI=1S/C49H47N5O6/c1-57-41-28-24-37(25-29-41)48(35-16-7-3-8-17-35,36-18-9-4-10-19-36)54-45(55)43-44(52-46(54)50)53(34-51-43)47(56)59-32-15-33-60-49(38-20-11-5-12-21-38,39-22-13-6-14-23-39)40-26-30-42(58-2)31-27-40/h3-14,16-31,47,51,56H,15,32-34H2,1-2H3,(H2,50,52)