N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H24N8O6 MolecularWeight: 472.45456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)C(=O)NCC(=O)N

InChI

InChI=1S/C20H24N8O6/c21-15(29)11-22-19(30)13-3-1-5-27(13)18-16(28(32)33)17(23-12-24-18)25-6-8-26(9-7-25)20(31)14-4-2-10-34-14/h2,4,10,12-13H,1,3,5-9,11H2,(H2,21,29)(H,22,30)