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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N7O2/c1-12(2,3)17-10-9(19(20)21)11(16-8-15-10)18(6-4-13)7-5-14/h8H,6-7H2,1-3H3,(H,15,16,17)