1-[4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H21N5O3/c1-4-5-10-21(3)17-15(22(24)25)16(18-11-19-17)20-14-8-6-13(7-9-14)12(2)23/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)