1-[3-[[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C16H19N5O3 MolecularWeight: 329.35376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-4-10(2)19-15-14(21(23)24)16(18-9-17-15)20-13-7-5-6-12(8-13)11(3)22/h5-10H,4H2,1-3H3,(H2,17,18,19,20)