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

Systemtic Name: [3,4-diacetyloxy-5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-amino-2-oct-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-2-oct-1-ynyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-amino-2-oct-1-ynylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-amino-2-oct-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C24H31N5O7 MolecularWeight: 501.53224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O7/c1-5-6-7-8-9-10-11-18-27-22(25)19-23(28-18)29(13-26-19)24-21(35-16(4)32)20(34-15(3)31)17(36-24)12-33-14(2)30/h13,17,20-21,24H,5-9,12H2,1-4H3,(H2,25,27,28)