N-[4-[[2-[(2,4-dimethylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[2-[(2,4-dimethylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[2-(2,4-dimethylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[2-(2,4-dimethylanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[2-(2,4-dimethylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[2-(2,4-dimethylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22N6O3/c1-12-5-10-18(13(2)11-12)25-21-22-14(3)19(27(29)30)20(26-21)24-17-8-6-16(7-9-17)23-15(4)28/h5-11H,1-4H3,(H,23,28)(H2,22,24,25,26)