N-[4-[[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)NC(=O)C

InChI

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