[(2S,5R)-5-(2-azanyl-6-chloranyl-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl ethanoate

Systemtic Name: [(2S,5R)-5-(2-azanyl-6-chloranyl-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl ethanoate Openeye Name: [(2S,5R)-5-(2-amino-6-chloro-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2S,5R)-5-(2-amino-6-chloro-9-purinyl)-2,5-dihydrofuran-2-yl]methyl ester IUPAC Name: [(2S,5R)-5-(2-amino-6-chloropurin-9-yl)-2,5-dihydrofuran-2-yl]methyl acetate Traditional Name: acetic acid [(2S,5R)-5-(2-amino-6-chloro-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl ester Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C=CC(O1)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O3/c1-6(19)20-4-7-2-3-8(21-7)18-5-15-9-10(13)16-12(14)17-11(9)18/h2-3,5,7-8H,4H2,1H3,(H2,14,16,17)/t7-,8+/m0/s1