2-[6-azanyl-2-(6-phenylhex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(6-phenylhex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(6-phenylhex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(6-phenylhex-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(6-phenylhex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(6-phenylhex-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C22H25N5O4/c23-20-17-21(27(13-24-17)22-19(30)18(29)15(12-28)31-22)26-16(25-20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13,15,18-19,22,28-30H,1-2,4,8,12H2,(H2,23,25,26)