[(2R,3R,4R,5R)-4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-methyl-oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-methyl-oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5R)-4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-methyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R)-4-acetyloxy-5-(2-amino-6-chloro-9-purinyl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-methyloxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-methyl-tetrahydrofuran-3-yl] ester Formula: C14H16ClN5O5 MolecularWeight: 369.76034

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O5/c1-5-9(24-6(2)21)10(25-7(3)22)13(23-5)20-4-17-8-11(15)18-14(16)19-12(8)20/h4-5,9-10,13H,1-3H3,(H2,16,18,19)/t5-,9-,10-,13-/m1/s1