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

Systemtic Name: 1-[3-[[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-4-25(18-10-5-7-14(2)11-18)21-19(26(28)29)20(22-13-23-21)24-17-9-6-8-16(12-17)15(3)27/h5-13H,4H2,1-3H3,(H,22,23,24)