2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H25N4O4S2- MolecularWeight: 449.5669

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C20H26N4O4S2/c1-3-4-16-13-18(25)22-20(21-16)29-14-19(26)23-9-11-24(12-10-23)30(27,28)17-7-5-15(2)6-8-17/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,22,25)/p-1