N-[4-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3/c1-12-5-4-6-17(13(12)2)25-20-18(26(28)29)19(21-11-22-20)24-16-9-7-15(8-10-16)23-14(3)27/h4-11H,1-3H3,(H,23,27)(H2,21,22,24,25)