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

Systemtic Name: 2-[6-(cyclopropylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclopropylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopropylamino)-2-(3-phenoxyprop-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopropylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclopropylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#CCOC5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#CCOC5=CC=CC=C5

InChI

InChI=1S/C22H23N5O5/c28-11-15-18(29)19(30)22(32-15)27-12-23-17-20(24-13-8-9-13)25-16(26-21(17)27)7-4-10-31-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,18-19,22,28-30H,8-11H2,(H,24,25,26)