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

Systemtic Name: 1-[4-[[6-[(4-ethanoylphenyl)amino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(4-acetylanilino)-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-(4-acetylanilino)-2-methyl-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(4-acetylanilino)-2-methyl-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(4-acetylanilino)-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)C(=O)C)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)C(=O)C)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H19N5O4/c1-12(27)15-4-8-17(9-5-15)24-20-19(26(29)30)21(23-14(3)22-20)25-18-10-6-16(7-11-18)13(2)28/h4-11H,1-3H3,(H2,22,23,24,25)