N-[(4-methoxyphenyl)-diphenyl-methyl]-9-[2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxy-purin-2-amine

Systemtic Name: N-[(4-methoxyphenyl)-diphenyl-methyl]-9-[2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxy-purin-2-amine Openeye Name: 6-benzyloxy-9-[4-benzyloxy-3-(benzyloxymethyl)-2-methylene-cyclopentyl]-N-[(4-methoxyphenyl)-diphenyl-methyl]purin-2-amine CAS Name: N-[(4-methoxyphenyl)-diphenylmethyl]-9-[2-methylene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxy-2-purinamine IUPAC Name: N-[(4-methoxyphenyl)-diphenylmethyl]-9-[2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine Traditional Name: [6-benzoxy-9-[4-benzoxy-3-(benzoxymethyl)-2-methylene-cyclopentyl]purin-2-yl]-[(4-methoxyphenyl)-diphenyl-methyl]amine Formula: C53H49N5O4 MolecularWeight: 819.98726

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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(C7=C)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(C7=C)COCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C53H49N5O4/c1-38-46(36-60-33-39-18-8-3-9-19-39)48(61-34-40-20-10-4-11-21-40)32-47(38)58-37-54-49-50(58)55-52(56-51(49)62-35-41-22-12-5-13-23-41)57-53(42-24-14-6-15-25-42,43-26-16-7-17-27-43)44-28-30-45(59-2)31-29-44/h3-31,37,46-48H,1,32-36H2,2H3,(H,55,56,57)