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

Systemtic Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-phenylazanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-anilino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-anilino-2-(3-phenoxyprop-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-anilino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-anilino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#CCOC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#CCOC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O5/c31-14-18-21(32)22(33)25(35-18)30-15-26-20-23(27-16-8-3-1-4-9-16)28-19(29-24(20)30)12-7-13-34-17-10-5-2-6-11-17/h1-6,8-11,15,18,21-22,25,31-33H,13-14H2,(H,27,28,29)