3-[(4,6-dimethoxy-5-nitro-pyrimidin-2-yl)amino]propanenitrile

Systemtic Name: 3-[(4,6-dimethoxy-5-nitro-pyrimidin-2-yl)amino]propanenitrile Openeye Name: 3-[(4,6-dimethoxy-5-nitro-pyrimidin-2-yl)amino]propanenitrile CAS Name: 3-[(4,6-dimethoxy-5-nitro-2-pyrimidinyl)amino]propanenitrile IUPAC Name: 3-[(4,6-dimethoxy-5-nitropyrimidin-2-yl)amino]propanenitrile Traditional Name: 3-[(4,6-dimethoxy-5-nitro-pyrimidin-2-yl)amino]propionitrile Formula: C9H11N5O4 MolecularWeight: 253.21474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=N1)NCCC#N)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=NC(=N1)NCCC#N)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H11N5O4/c1-17-7-6(14(15)16)8(18-2)13-9(12-7)11-5-3-4-10/h3,5H2,1-2H3,(H,11,12,13)