[(2S,5R)-5-[2-azanyl-6-(diphenylcarbamoyloxy)purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate

Systemtic Name: [(2S,5R)-5-[2-azanyl-6-(diphenylcarbamoyloxy)purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [(2S,5R)-5-[2-amino-6-(diphenylcarbamoyloxy)purin-9-yl]tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2S,5R)-5-[2-amino-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5R)-5-[2-amino-6-(diphenylcarbamoyloxy)purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2S,5R)-5-[2-amino-6-(diphenylcarbamoyloxy)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C27H28N6O5 MolecularWeight: 516.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1CCC(O1)N2C=NC3=C2N=C(N=C3OC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

CC(C)C(=O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=C(N=C3OC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C27H28N6O5/c1-17(2)25(34)36-15-20-13-14-21(37-20)32-16-29-22-23(32)30-26(28)31-24(22)38-27(35)33(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17,20-21H,13-15H2,1-2H3,(H2,28,30,31)/t20-,21+/m0/s1