1-[4-[4-(6-azanyl-5-nitro-pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(6-azanyl-5-nitro-pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(6-amino-5-nitro-pyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(6-amino-5-nitro-pyrimidin-4-yl)piperazino]phenyl]ethanone Formula: C16H18N6O3 MolecularWeight: 342.35252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c1-11(23)12-2-4-13(5-3-12)20-6-8-21(9-7-20)16-14(22(24)25)15(17)18-10-19-16/h2-5,10H,6-9H2,1H3,(H2,17,18,19)