[(2R,3S,4R,5R)-5-(2-benzamido-6-oxidanylidene-3H-purin-9-yl)-4-deuterio-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R)-5-(2-benzamido-6-oxidanylidene-3H-purin-9-yl)-4-deuterio-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R)-5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-benzoyloxy-4-deuterio-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-benzoyloxy-4-deuterio-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-benzoyloxy-4-deuteriooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R)-5-(2-benzamido-6-keto-3H-purin-9-yl)-3-benzoyloxy-4-deuterio-tetrahydrofuran-2-yl]methyl ester Formula: C31H25N5O7 MolecularWeight: 580.565662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)NC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

[H][C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)NC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)[2H]

InChI

InChI=1S/C31H25N5O7/c37-27(19-10-4-1-5-11-19)34-31-33-26-25(28(38)35-31)32-18-36(26)24-16-22(43-30(40)21-14-8-3-9-15-21)23(42-24)17-41-29(39)20-12-6-2-7-13-20/h1-15,18,22-24H,16-17H2,(H2,33,34,35,37,38)/t22-,23+,24+/m0/s1/i16D/t16-,22+,23-,24-/m1