ethyl 2-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]acetate CAS Name: 2-[4-[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperazin-1-yl]acetate Traditional Name: 2-[4-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]piperazino]acetic acid ethyl ester Formula: C21H27N7O6 MolecularWeight: 473.48238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H27N7O6/c1-2-33-17(29)14-24-5-7-25(8-6-24)19-18(28(31)32)20(23-15-22-19)26-9-11-27(12-10-26)21(30)16-4-3-13-34-16/h3-4,13,15H,2,5-12,14H2,1H3