1-[3-bromanyl-4-[[6-[butyl(ethyl)amino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-bromanyl-4-[[6-[butyl(ethyl)amino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-bromo-4-[[6-[butyl(ethyl)amino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-bromo-4-[[6-[butyl(ethyl)amino]-2-methyl-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-bromo-4-[[6-[butyl(ethyl)amino]-2-methyl-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-bromo-4-[[6-[butyl(ethyl)amino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H24BrN5O3 MolecularWeight: 450.32956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN5O3/c1-5-7-10-24(6-2)19-17(25(27)28)18(21-13(4)22-19)23-16-9-8-14(12(3)26)11-15(16)20/h8-9,11H,5-7,10H2,1-4H3,(H,21,22,23)