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

Systemtic Name: N-[4-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-3-4-5-16-6-8-18(9-7-16)26-21-20(28(30)31)22(24-14-23-21)27-19-12-10-17(11-13-19)25-15(2)29/h6-14H,3-5H2,1-2H3,(H,25,29)(H2,23,24,26,27)