(E)-N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]purin-6-yl]-2,3-bis(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]purin-6-yl]-2,3-bis(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]-2,3-bis(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-6-purinyl]-2,3-bis(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]-2,3-bis(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]-2,3-bis(4-methoxyphenyl)acrylamide Formula: C48H45N5O8 MolecularWeight: 819.8996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)C(=O)NC3=NC=NC4=C3N=CN4C5CC(C(O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C2=CC=C(C=C2)OC)/C(=O)NC3=NC=NC4=C3N=CN4[C@H]5C[C@@H]([C@H](O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O

InChI

InChI=1S/C48H45N5O8/c1-56-36-18-10-31(11-19-36)26-40(32-12-20-37(57-2)21-13-32)47(55)52-45-44-46(50-29-49-45)53(30-51-44)43-27-41(54)42(61-43)28-60-48(33-8-6-5-7-9-33,34-14-22-38(58-3)23-15-34)35-16-24-39(59-4)25-17-35/h5-26,29-30,41-43,54H,27-28H2,1-4H3,(H,49,50,52,55)/b40-26+/t41-,42+,43+/m0/s1