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

Systemtic Name: N-[4-[[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4/c1-12(27)14-4-3-5-17(10-14)25-20-18(26(29)30)19(21-11-22-20)24-16-8-6-15(7-9-16)23-13(2)28/h3-11H,1-2H3,(H,23,28)(H2,21,22,24,25)