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

Systemtic Name: 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C13H17N7O2 MolecularWeight: 303.31978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O2/c1-3-4-7-18(2)12-11(20(21)22)13(17-10-16-12)19(8-5-14)9-6-15/h10H,3-4,7-9H2,1-2H3