2-[6-(3,3-dimethylbutylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate

Systemtic Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate Openeye Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate CAS Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(1-methyl-4-imidazolyl)ethylamino]-9-purinyl]-5-(2-methyl-5-tetrazolyl)oxolane-3,4-diol formate IUPAC Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol formate Traditional Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate Formula: C24H35N12O5- MolecularWeight: 571.6121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C4=NN(N=N4)C)O)O)NCCC5=CN(C=N5)C.C(=O)[O-]

Isomeric SMILES

CC(C)(C)CCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C4=NN(N=N4)C)O)O)NCCC5=CN(C=N5)C.C(=O)[O-]

InChI

InChI=1S/C23H34N12O3.CH2O2/c1-23(2,3)7-9-24-18-14-20(29-22(28-18)25-8-6-13-10-33(4)11-26-13)35(12-27-14)21-16(37)15(36)17(38-21)19-30-32-34(5)31-19;2-1-3/h10-12,15-17,21,36-37H,6-9H2,1-5H3,(H2,24,25,28,29);1H,(H,2,3)/p-1