5-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-phenylmethoxy-purin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

Systemtic Name: 5-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-phenylmethoxy-purin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol Openeye Name: 3-benzyloxy-5-[6-benzyloxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-(benzyloxymethyl)cyclopentanol CAS Name: 5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxy-9-purinyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-1-cyclopentanol IUPAC Name: 5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol Traditional Name: 3-benzoxy-5-[6-benzoxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-(benzoxymethyl)cyclopentanol Formula: C52H49N5O5 MolecularWeight: 823.97596

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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)OCC6=CC=CC=C6)N=CN5C7CC(C(C7O)COCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7O)COCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C52H49N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46,48,58H,31-35H2,1H3,(H,54,55,56)