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

Systemtic Name: 2-(azidomethyl)-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Openeye Name: 2-(azidomethyl)-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol; prop-1-en-2-olate CAS Name: 2-(azidomethyl)-5-[6-(3-oxolanyl)-9-purinyl]oxolane-3,4-diol; 1-propen-2-olate IUPAC Name: 2-(azidomethyl)-5-[6-(oxolan-3-yl)purin-9-yl]oxolane-3,4-diol; prop-1-en-2-olate Traditional Name: 2-(azidomethyl)-5-(6-tetrahydrofuran-3-ylpurin-9-yl)tetrahydrofuran-3,4-diol; prop-1-en-2-olate Formula: C17H22N7O5- MolecularWeight: 404.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N7O4.C3H6O/c15-20-19-3-8-11(22)12(23)14(25-8)21-6-18-10-9(7-1-2-24-4-7)16-5-17-13(10)21;1-3(2)4/h5-8,11-12,14,22-23H,1-4H2;4H,1H2,2H3/p-1