9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-pyrrolidin-1-yl-oxolan-2-yl]-N-[(4-methoxyphenyl)-diphenyl-methyl]purin-6-amine

Systemtic Name: 9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-pyrrolidin-1-yl-oxolan-2-yl]-N-[(4-methoxyphenyl)-diphenyl-methyl]purin-6-amine Openeye Name: 9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-pyrrolidin-1-yl-tetrahydrofuran-2-yl]-N-[(4-methoxyphenyl)-diphenyl-methyl]purin-6-amine CAS Name: 9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-(1-pyrrolidinyl)-2-oxolanyl]-N-[(4-methoxyphenyl)-diphenylmethyl]-6-purinamine IUPAC Name: 9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-pyrrolidin-1-yloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine Traditional Name: [9-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-pyrrolidino-tetrahydrofuran-2-yl]purin-6-yl]-[(4-methoxyphenyl)-diphenyl-methyl]amine Formula: C54H52N6O4 MolecularWeight: 849.02848

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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=NC=NC5=C4N=CN5C6C(CC(O6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)N1CCCC1

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC=NC5=C4N=CN5[C@H]6[C@@H](C[C@H](O6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)N1CCCC1

InChI

InChI=1S/C54H52N6O4/c1-61-45-29-25-41(26-30-45)53(39-17-7-3-8-18-39,40-19-9-4-10-20-40)58-50-49-51(56-37-55-50)60(38-57-49)52-48(59-33-15-16-34-59)35-47(64-52)36-63-54(42-21-11-5-12-22-42,43-23-13-6-14-24-43)44-27-31-46(62-2)32-28-44/h3-14,17-32,37-38,47-48,52H,15-16,33-36H2,1-2H3,(H,55,56,58)/t47-,48+,52+/m0/s1