2-[6-(oxan-4-ylamino)purin-9-yl]-2-(2-pyridin-2-ylethylamino)oxolane-3,4-diol

Systemtic Name: 2-[6-(oxan-4-ylamino)purin-9-yl]-2-(2-pyridin-2-ylethylamino)oxolane-3,4-diol Openeye Name: 2-[2-(2-pyridyl)ethylamino]-2-[6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[6-(4-oxanylamino)-9-purinyl]-2-[2-(2-pyridinyl)ethylamino]oxolane-3,4-diol IUPAC Name: 2-[6-(oxan-4-ylamino)purin-9-yl]-2-(2-pyridin-2-ylethylamino)oxolane-3,4-diol Traditional Name: 2-[2-(2-pyridyl)ethylamino]-2-[6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC=NC3=C2N=CN3C4(C(C(CO4)O)O)NCCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1NC2=NC=NC3=C2N=CN3C4(C(C(CO4)O)O)NCCC5=CC=CC=N5

InChI

InChI=1S/C21H27N7O4/c29-16-11-32-21(18(16)30,26-8-4-14-3-1-2-7-22-14)28-13-25-17-19(23-12-24-20(17)28)27-15-5-9-31-10-6-15/h1-3,7,12-13,15-16,18,26,29-30H,4-6,8-11H2,(H,23,24,27)