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

Systemtic Name: 5-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbamoylpiperidino)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C20H22FN4O3S- MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)[O-])CC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)[O-])CC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H23FN4O3S/c1-12-16(10-17(26)25-8-6-14(7-9-25)18(22)27)19(28)24-20(23-12)29-11-13-2-4-15(21)5-3-13/h2-5,14H,6-11H2,1H3,(H2,22,27)(H,23,24,28)/p-1