methyl 3-[(2R,3S,5R)-5-(6-chloranylpurin-9-yl)-3-oxidanyl-oxolan-2-yl]propanoate

Systemtic Name: methyl 3-[(2R,3S,5R)-5-(6-chloranylpurin-9-yl)-3-oxidanyl-oxolan-2-yl]propanoate Openeye Name: methyl 3-[(2R,3S,5R)-5-(6-chloropurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]propanoate CAS Name: 3-[(2R,3S,5R)-5-(6-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R,3S,5R)-5-(6-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]propanoate Traditional Name: 3-[(2R,3S,5R)-5-(6-chloropurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]propionic acid methyl ester Formula: C13H15ClN4O4 MolecularWeight: 326.7356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C(CC(O1)N2C=NC3=C2N=CN=C3Cl)O

Isomeric SMILES

COC(=O)CC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3Cl)O

InChI

InChI=1S/C13H15ClN4O4/c1-21-10(20)3-2-8-7(19)4-9(22-8)18-6-17-11-12(14)15-5-16-13(11)18/h5-9,19H,2-4H2,1H3/t7-,8+,9+/m0/s1