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

Systemtic Name: 1-[4-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(2,3-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=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

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

InChI

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