[9-[(4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-2-(propanoylamino)purin-6-yl] N,N-diphenylcarbamate

Systemtic Name: [9-[(4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-2-(propanoylamino)purin-6-yl] N,N-diphenylcarbamate Openeye Name: [9-[(4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-(propanoylamino)purin-6-yl] N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid [9-[(4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-2-(1-oxopropylamino)-6-purinyl] ester IUPAC Name: [9-[(4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-(propanoylamino)purin-6-yl] N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid [9-[(4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-propionamido-purin-6-yl] ester Formula: C47H44N6O8 MolecularWeight: 820.88766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CC(C(O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O

Isomeric SMILES

CCC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5C[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/C47H44N6O8/c1-4-40(55)49-45-50-43-42(44(51-45)61-46(56)53(34-16-10-6-11-17-34)35-18-12-7-13-19-35)48-30-52(43)41-28-38(54)39(60-41)29-59-47(31-14-8-5-9-15-31,32-20-24-36(57-2)25-21-32)33-22-26-37(58-3)27-23-33/h5-27,30,38-39,41,54H,4,28-29H2,1-3H3,(H,49,50,51,55)/t38-,39+,41?/m0/s1