1-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C20H25N7O5 MolecularWeight: 443.4564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O5/c1-15(28)23-5-3-6-24(8-7-23)18-17(27(30)31)19(22-14-21-18)25-9-11-26(12-10-25)20(29)16-4-2-13-32-16/h2,4,13-14H,3,5-12H2,1H3