2-ethynyl-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-ethynyl-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-(1-ethylpropylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-ethynyl-tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-6-(pentan-3-ylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(1-ethylpropylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-ethynyl-tetrahydrofuran-3,4-diol Formula: C22H30N8O3 MolecularWeight: 454.5254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C#C)O)O)NCCC4=CN(C=N4)C

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C#C)O)O)NCCC4=CN(C=N4)C

InChI

InChI=1S/C22H30N8O3/c1-5-13(6-2)26-19-16-20(28-22(27-19)23-9-8-14-10-29(4)11-24-14)30(12-25-16)21-18(32)17(31)15(7-3)33-21/h3,10-13,15,17-18,21,31-32H,5-6,8-9H2,1-2,4H3,(H2,23,26,27,28)