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

Systemtic Name: 1-[3-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-12(24)13-6-5-9-15(10-13)22-18-16(23(25)26)17(19-11-20-18)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H2,19,20,21,22)