2-(hydroxymethyl)-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate

Systemtic Name: 2-(hydroxymethyl)-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Openeye Name: 2-(hydroxymethyl)-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol; prop-1-en-2-olate CAS Name: 2-(hydroxymethyl)-5-[6-(3-oxolanyl)-9-purinyl]oxolane-3,4-diol; 1-propen-2-olate IUPAC Name: 2-(hydroxymethyl)-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Traditional Name: 2-methylol-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol; prop-1-en-2-olate Formula: C17H23N4O6- MolecularWeight: 379.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C1COCC1C2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC(=C)[O-].C1COCC1C2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C14H18N4O5.C3H6O/c19-3-8-11(20)12(21)14(23-8)18-6-17-10-9(7-1-2-22-4-7)15-5-16-13(10)18;1-3(2)4/h5-8,11-12,14,19-21H,1-4H2;4H,1H2,2H3/p-1