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

Systemtic Name: 1-[4-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H16ClN5O3 MolecularWeight: 397.81504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O3/c1-11-3-6-14(20)9-16(11)24-19-17(25(27)28)18(21-10-22-19)23-15-7-4-13(5-8-15)12(2)26/h3-10H,1-2H3,(H2,21,22,23,24)