2-[(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanenitrile

Systemtic Name: 2-[(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanenitrile Openeye Name: 2-[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]propanenitrile CAS Name: 2-[(2S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]propanenitrile IUPAC Name: 2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanenitrile Traditional Name: 2-[(2S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]propionitrile Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1CC(OC1CO)N2C=CC(=NC2=O)N

Isomeric SMILES

CC(C#N)C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C12H16N4O3/c1-7(5-13)8-4-11(19-9(8)6-17)16-3-2-10(14)15-12(16)18/h2-3,7-9,11,17H,4,6H2,1H3,(H2,14,15,18)/t7?,8?,9-,11-/m1/s1