3-[6-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C15H22N4O6S2 MolecularWeight: 418.48838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C15H22N4O6S2/c1-10-11(3-4-13(21)22)14(23)17-15(16-10)26-9-12(20)18-5-7-19(8-6-18)27(2,24)25/h3-9H2,1-2H3,(H,21,22)(H,16,17,23)