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

Systemtic Name: 1-[3-[[2-[(3-ethanoylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[2-(3-acetylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[2-(3-acetylanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[2-(3-acetylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[2-(3-acetylanilino)-6-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=C(C(=NC(=N1)NC2=CC=CC(=C2)C(=O)C)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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