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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C)C

InChI

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