(2R,3S,4S,5R)-2-(6-azanyl-2-oxidanylidene-1H-pyrimidin-3-ium-3-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolane-3-carbonitrile

Systemtic Name: (2R,3S,4S,5R)-2-(6-azanyl-2-oxidanylidene-1H-pyrimidin-3-ium-3-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolane-3-carbonitrile Openeye Name: (2R,3S,4S,5R)-2-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-carbonitrile CAS Name: (2R,3S,4S,5R)-2-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanecarbonitrile IUPAC Name: (2R,3S,4S,5R)-2-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile Traditional Name: (2R,3S,4S,5R)-2-(6-amino-2-keto-1H-pyrimidin-3-ium-3-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-carbonitrile Formula: C10H13N4O4+ MolecularWeight: 253.23462

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)CO)O)C#N)N

Isomeric SMILES

C1=C(NC(=O)[N+](=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N)N

InChI

InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/p+1/t5-,6+,8-,9+/m0/s1