2-[(1,3-benzoxazol-2-ylamino)methyl]-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-[(1,3-benzoxazol-2-ylamino)methyl]-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[(1,3-benzoxazol-2-ylamino)methyl]-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[(1,3-benzoxazol-2-ylamino)methyl]-5-[6-(3-oxolanyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[(1,3-benzoxazol-2-ylamino)methyl]-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[(1,3-benzoxazol-2-ylamino)methyl]-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CNC5=NC6=CC=CC=C6O5)O)O

Isomeric SMILES

C1COCC1C2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CNC5=NC6=CC=CC=C6O5)O)O

InChI

InChI=1S/C21H22N6O5/c28-17-14(7-22-21-26-12-3-1-2-4-13(12)32-21)31-20(18(17)29)27-10-25-16-15(11-5-6-30-8-11)23-9-24-19(16)27/h1-4,9-11,14,17-18,20,28-29H,5-8H2,(H,22,26)