[1-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-2-oxidanylidene-butyl] 2-methylpropanoate

Systemtic Name: [1-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-2-oxidanylidene-butyl] 2-methylpropanoate Openeye Name: [1-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-methyl-2-oxo-butyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [1-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-3-methyl-2-oxobutyl] ester IUPAC Name: [1-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-2-oxobutyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [1-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-keto-3-methyl-butyl] ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OC(=O)C(C)C

InChI

InChI=1S/C18H25N5O6/c1-7(2)10(24)13(29-18(27)8(3)4)14-11(25)12(26)17(28-14)23-6-22-9-15(19)20-5-21-16(9)23/h5-8,11-14,17,25-26H,1-4H3,(H2,19,20,21)