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

Systemtic Name: 2-[6-(oxolan-3-ylamino)purin-9-yl]-5-(phenethyloxymethyl)oxolane-3,4-diol Openeye Name: 2-(phenethyloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[6-(3-oxolanylamino)-9-purinyl]-5-(phenethyloxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(oxolan-3-ylamino)purin-9-yl]-5-(phenethyloxymethyl)oxolane-3,4-diol Traditional Name: 2-(phenethyloxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COCCC5=CC=CC=C5)O)O

Isomeric SMILES

C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COCCC5=CC=CC=C5)O)O

InChI

InChI=1S/C22H27N5O5/c28-18-16(11-31-8-6-14-4-2-1-3-5-14)32-22(19(18)29)27-13-25-17-20(23-12-24-21(17)27)26-15-7-9-30-10-15/h1-5,12-13,15-16,18-19,22,28-29H,6-11H2,(H,23,24,26)