3-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-(2-cyanoethyl)amino]propionitrile Formula: C10H11N7O3 MolecularWeight: 277.23944

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CCC#N)C1=C(C(=O)N=C(N1)N)[N+](=O)[O-])C#N

Isomeric SMILES

C(CN(CCC#N)C1=C(C(=O)N=C(N1)N)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H11N7O3/c11-3-1-5-16(6-2-4-12)8-7(17(19)20)9(18)15-10(13)14-8/h1-2,5-6H2,(H3,13,14,15,18)