(phenylmethyl) (2S)-1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-phenoxy-phosphoryl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-phenoxy-phosphoryl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-phenoxy-phosphoryl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-phenoxyphosphoryl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-phenoxyphosphoryl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy-phenoxy-phosphoryl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H29N6O7P MolecularWeight: 568.518221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)P(=O)(OCCOCN2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)P(=O)(OCCOCN2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H29N6O7P/c27-26-29-23-22(24(33)30-26)28-17-31(23)18-36-14-15-38-40(35,39-20-10-5-2-6-11-20)32-13-7-12-21(32)25(34)37-16-19-8-3-1-4-9-19/h1-6,8-11,17,21H,7,12-16,18H2,(H3,27,29,30,33)/t21-,40?/m0/s1