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

Systemtic Name: 3-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[6-(2,6-dimethyl-4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[6-(2,6-dimethylmorpholino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3/c1-9-6-18(7-10(2)22-9)13-11(19(20)21)12(16-8-17-13)15-5-3-4-14/h8-10H,3,5-7H2,1-2H3,(H,15,16,17)