furan-2-yl-[4-[6-[3-[methyl(phenyl)amino]propylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[6-[3-[methyl(phenyl)amino]propylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[6-[3-(N-methylanilino)propylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[6-[3-(N-methylanilino)propylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[6-[3-(N-methylanilino)propylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[6-[3-(N-methylanilino)propylamino]-5-nitro-pyrimidin-4-yl]piperazino]methanone Formula: C23H27N7O4 MolecularWeight: 465.50498

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N7O4/c1-27(18-7-3-2-4-8-18)11-6-10-24-21-20(30(32)33)22(26-17-25-21)28-12-14-29(15-13-28)23(31)19-9-5-16-34-19/h2-5,7-9,16-17H,6,10-15H2,1H3,(H,24,25,26)