7-[[3-(4-methoxyphenyl)-2-phenylmethoxy-phenyl]-phenyl-methyl]-6-phenylmethoxy-8,9-dihydropurin-8-amine

Systemtic Name: 7-[[3-(4-methoxyphenyl)-2-phenylmethoxy-phenyl]-phenyl-methyl]-6-phenylmethoxy-8,9-dihydropurin-8-amine Openeye Name: 6-benzyloxy-7-[[2-benzyloxy-3-(4-methoxyphenyl)phenyl]-phenyl-methyl]-8,9-dihydropurin-8-amine CAS Name: 7-[[3-(4-methoxyphenyl)-2-phenylmethoxyphenyl]-phenylmethyl]-6-phenylmethoxy-8,9-dihydropurin-8-amine IUPAC Name: 7-[[3-(4-methoxyphenyl)-2-phenylmethoxyphenyl]-phenylmethyl]-6-phenylmethoxy-8,9-dihydropurin-8-amine Traditional Name: [6-benzoxy-7-[[2-benzoxy-3-(4-methoxyphenyl)phenyl]-phenyl-methyl]-8,9-dihydropurin-8-yl]amine Formula: C39H35N5O3 MolecularWeight: 621.7269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=CC=C2)C(C3=CC=CC=C3)N4C(NC5=C4C(=NC=N5)OCC6=CC=CC=C6)N)OCC7=CC=CC=C7

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=CC=C2)C(C3=CC=CC=C3)N4C(NC5=C4C(=NC=N5)OCC6=CC=CC=C6)N)OCC7=CC=CC=C7

InChI

InChI=1S/C39H35N5O3/c1-45-31-22-20-29(21-23-31)32-18-11-19-33(36(32)46-24-27-12-5-2-6-13-27)34(30-16-9-4-10-17-30)44-35-37(43-39(44)40)41-26-42-38(35)47-25-28-14-7-3-8-15-28/h2-23,26,34,39H,24-25,40H2,1H3,(H,41,42,43)