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

Systemtic Name: N-[4-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(butylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(butylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C16H20N6O3/c1-3-4-9-17-15-14(22(24)25)16(19-10-18-15)21-13-7-5-12(6-8-13)20-11(2)23/h5-8,10H,3-4,9H2,1-2H3,(H,20,23)(H2,17,18,19,21)