1-[3-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H19N5O3/c1-3-14-7-4-5-10-17(14)24-20-18(25(27)28)19(21-12-22-20)23-16-9-6-8-15(11-16)13(2)26/h4-12H,3H2,1-2H3,(H2,21,22,23,24)