3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(2-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H25N5O5S2 MolecularWeight: 479.573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S2/c1-14-16(15(2)22-20(21-14)31-3)8-9-19(26)23-10-12-24(13-11-23)32(29,30)18-7-5-4-6-17(18)25(27)28/h4-7H,8-13H2,1-3H3