6-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]pyrimidin-4-olate Formula: C21H24FN4O4S- MolecularWeight: 447.503063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C21H25FN4O4S/c1-2-30-21(29)26-9-7-16(8-10-26)23-18(27)11-17-12-19(28)25-20(24-17)31-13-14-3-5-15(22)6-4-14/h3-6,12,16H,2,7-11,13H2,1H3,(H,23,27)(H,24,25,28)/p-1