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

Systemtic Name: 2-[azanyl(1,3-benzoxazol-2-yl)methyl]-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[amino(1,3-benzoxazol-2-yl)methyl]-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[amino(1,3-benzoxazol-2-yl)methyl]-5-[6-(3-oxolanyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[amino(1,3-benzoxazol-2-yl)methyl]-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[amino(1,3-benzoxazol-2-yl)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)C(C5=NC6=CC=CC=C6O5)N)O)O

Isomeric SMILES

C1COCC1C2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)C(C5=NC6=CC=CC=C6O5)N)O)O

InChI

InChI=1S/C21H22N6O5/c22-13(20-26-11-3-1-2-4-12(11)31-20)18-16(28)17(29)21(32-18)27-9-25-15-14(10-5-6-30-7-10)23-8-24-19(15)27/h1-4,8-10,13,16-18,21,28-29H,5-7,22H2