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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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