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

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

C1C(C(OC1N2C=CC(=NC2=O)N)CO)CCC#N

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)CCC#N

InChI

InChI=1S/C12H16N4O3/c13-4-1-2-8-6-11(19-9(8)7-17)16-5-3-10(14)15-12(16)18/h3,5,8-9,11,17H,1-2,6-7H2,(H2,14,15,18)/t8-,9+,11+/m0/s1