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

Systemtic Name: N-[4-[[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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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=C(C=C3)NC(=O)C

Isomeric SMILES

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

InChI

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