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

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-pyridin-3-yl-propanenitrile Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(3-pyridyl)propanenitrile CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(3-pyridinyl)propanenitrile IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-pyridin-3-ylpropanenitrile Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-3-(3-pyridyl)propionitrile Formula: C12H10N6O3 MolecularWeight: 286.2462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O3/c13-5-8(4-7-2-1-3-15-6-7)9-10(18(20)21)11(19)17-12(14)16-9/h1-3,6,8H,4H2,(H3,14,16,17,19)