[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(6-azanyl-2-oct-1-ynyl-purin-9-yl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(6-azanyl-2-oct-1-ynyl-purin-9-yl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5R)-4,5-diacetoxy-2-(6-amino-2-oct-1-ynyl-purin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(6-amino-2-oct-1-ynyl-9-purinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(6-amino-2-oct-1-ynylpurin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-4,5-diacetoxy-2-(6-amino-2-oct-1-ynyl-purin-9-yl)tetrahydrofuran-3-yl] ester Formula: C23H29N5O7 MolecularWeight: 487.50566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C23H29N5O7/c1-5-6-7-8-9-10-11-16-26-20(24)17-21(27-16)28(12-25-17)22-18(32-13(2)29)19(33-14(3)30)23(35-22)34-15(4)31/h12,18-19,22-23H,5-9H2,1-4H3,(H2,24,26,27)/t18-,19+,22-,23+/m1/s1