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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Openeye Name: 2-(hydroxymethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol; prop-1-en-2-olate CAS Name: 2-(hydroxymethyl)-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol; 1-propen-2-olate IUPAC Name: 2-(hydroxymethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Traditional Name: 2-methylol-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol; prop-1-en-2-olate Formula: C17H24N5O6- MolecularWeight: 394.40236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC(=C)[O-].C1COCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C14H19N5O5.C3H6O/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7;1-3(2)4/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18);4H,1H2,2H3/p-1