[(3S)-3-[(6-chloranylpurin-9-yl)methoxy]-5-phenylmethoxy-pentyl] 2,2-dimethylpropanoate

Systemtic Name: [(3S)-3-[(6-chloranylpurin-9-yl)methoxy]-5-phenylmethoxy-pentyl] 2,2-dimethylpropanoate Openeye Name: [(3S)-5-benzyloxy-3-[(6-chloropurin-9-yl)methoxy]pentyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3S)-3-[(6-chloro-9-purinyl)methoxy]-5-phenylmethoxypentyl] ester IUPAC Name: [(3S)-3-[(6-chloropurin-9-yl)methoxy]-5-phenylmethoxypentyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3S)-5-benzoxy-3-[(6-chloropurin-9-yl)methoxy]pentyl] ester Formula: C23H29ClN4O4 MolecularWeight: 460.95376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCC(CCOCC1=CC=CC=C1)OCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC(C)(C)C(=O)OCC[C@H](CCOCC1=CC=CC=C1)OCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C23H29ClN4O4/c1-23(2,3)22(29)31-12-10-18(9-11-30-13-17-7-5-4-6-8-17)32-16-28-15-27-19-20(24)25-14-26-21(19)28/h4-8,14-15,18H,9-13,16H2,1-3H3/t18-/m0/s1