2-[6-(3,4-dihydronaphthalen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(3,4-dihydronaphthalen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(3,4-dihydronaphthalen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(3,4-dihydronaphthalen-1-ylmethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(3,4-dihydronaphthalen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(3,4-dihydronaphthalen-1-ylmethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=C1)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1CC2=CC=CC=C2C(=C1)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H23N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,6-7,10-11,15,17-18,21,27-29H,3,5,8-9H2,(H,22,23,24)