5-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbethoxypiperazino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C21H24FN4O4S- MolecularWeight: 447.503063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3F)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN4O4S/c1-3-30-21(29)26-10-8-25(9-11-26)18(27)12-16-14(2)23-20(24-19(16)28)31-13-15-6-4-5-7-17(15)22/h4-7H,3,8-13H2,1-2H3,(H,23,24,28)/p-1