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1-[3-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name:1-[3-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone
Openeye Name:1-[3-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone
CAS Name:1-[3-[[4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone
IUPAC Name:1-[3-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone
Traditional Name:1-[3-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazino]sulfonylphenyl]ethanone
Formula: C19H22N6O5S
MolecularWeight: 446.48018
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]


Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]


InChI

InChI=1S/C19H22N6O5S/c1-13(26)14-3-2-4-16(11-14)31(29,30)24-9-7-23(8-10-24)19-20-12-17(25(27)28)18(22-19)21-15-5-6-15/h2-4,11-12,15H,5-10H2,1H3,(H,20,21,22)


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