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

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-thiophen-2-yl-propanenitrile Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(2-thienyl)propanenitrile CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-thiophen-2-ylpropanenitrile IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-thiophen-2-ylpropanenitrile Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-3-(2-thienyl)propionitrile Formula: C11H9N5O3S MolecularWeight: 291.28586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N5O3S/c12-5-6(4-7-2-1-3-20-7)8-9(16(18)19)10(17)15-11(13)14-8/h1-3,6H,4H2,(H3,13,14,15,17)