furan-2-yl-[4-[6-[(4-methylsulfonylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[6-[(4-methylsulfonylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[6-[(4-methylsulfonylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[6-[(4-methylsulfonylphenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[6-[(4-methylsulfonylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[6-[(4-mesylbenzyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]methanone Formula: C21H22N6O6S MolecularWeight: 486.50098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N6O6S/c1-34(31,32)16-6-4-15(5-7-16)13-22-19-18(27(29)30)20(24-14-23-19)25-8-10-26(11-9-25)21(28)17-3-2-12-33-17/h2-7,12,14H,8-11,13H2,1H3,(H,22,23,24)