[3,4-diacetyloxy-5-[2-(nonanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[2-(nonanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-(nonanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[6-oxo-2-(1-oxononylamino)-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-(nonanoylamino)-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[6-keto-2-(pelargonylamino)-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C50H70N10O18 MolecularWeight: 1099.147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C.CCCCCCCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C.CCCCCCCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/2C25H35N5O9/c2*1-5-6-7-8-9-10-11-18(34)27-25-28-22-19(23(35)29-25)26-13-30(22)24-21(38-16(4)33)20(37-15(3)32)17(39-24)12-36-14(2)31/h2*13,17,20-21,24H,5-12H2,1-4H3,(H2,27,28,29,34,35)