2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-2-cyano-3-thiophen-3-yl-propanoic acid

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-2-cyano-3-thiophen-3-yl-propanoic acid Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-3-(3-thienyl)propanoic acid CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-3-(3-thiophenyl)propanoic acid IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-3-thiophen-3-ylpropanoic acid Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-2-cyano-3-(3-thienyl)propionic acid Formula: C12H9N5O5S MolecularWeight: 335.29536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC(C#N)(C2=C(C(=O)N=C(N2)N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CSC=C1CC(C#N)(C2=C(C(=O)N=C(N2)N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N5O5S/c13-5-12(10(19)20,3-6-1-2-23-4-6)8-7(17(21)22)9(18)16-11(14)15-8/h1-2,4H,3H2,(H,19,20)(H3,14,15,16,18)