2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-(butylamino)-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-(butylamino)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C12H15N7O2 MolecularWeight: 289.2932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N7O2/c1-2-3-6-15-11-10(19(20)21)12(17-9-16-11)18(7-4-13)8-5-14/h9H,2-3,6-8H2,1H3,(H,15,16,17)