1-[3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(butylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(butylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C16H19N5O3/c1-3-4-8-17-15-14(21(23)24)16(19-10-18-15)20-13-7-5-6-12(9-13)11(2)22/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19,20)