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

Systemtic Name: 2-[6-azanyl-2-[3-(4-phenylphenoxy)prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[3-(4-phenylphenoxy)prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[3-(4-phenylphenoxy)prop-1-ynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[3-(4-phenylphenoxy)prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[3-(4-phenylphenoxy)prop-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)C2=CC=C(C=C2)OCC#CC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC#CC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C25H23N5O5/c26-23-20-24(30(14-27-20)25-22(33)21(32)18(13-31)35-25)29-19(28-23)7-4-12-34-17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,14,18,21-22,25,31-33H,12-13H2,(H2,26,28,29)