ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(4-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

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