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

Systemtic Name: N-[2-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C17H21N7O5 MolecularWeight: 403.39254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(=O)NCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H21N7O5/c1-12(25)18-4-5-19-15-14(24(27)28)16(21-11-20-15)22-6-8-23(9-7-22)17(26)13-3-2-10-29-13/h2-3,10-11H,4-9H2,1H3,(H,18,25)(H,19,20,21)