1-[3-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]propyl]-2-pyrrolidone Formula: C20H25N7O5 MolecularWeight: 443.4564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H25N7O5/c28-16-5-1-7-24(16)8-3-6-21-18-17(27(30)31)19(23-14-22-18)25-9-11-26(12-10-25)20(29)15-4-2-13-32-15/h2,4,13-14H,1,3,5-12H2,(H,21,22,23)