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

Systemtic Name: 2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C14H21N4O4S2- MolecularWeight: 373.47094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O4S2/c1-3-4-11-9-12(19)16-14(15-11)23-10-13(20)17-5-7-18(8-6-17)24(2,21)22/h9H,3-8,10H2,1-2H3,(H,15,16,19)/p-1