ethyl 6-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22ClFN4O5S MolecularWeight: 460.907483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H22ClFN4O5S/c1-2-29-17(25)13-10-21-18(26)22-16(13)11-23-5-7-24(8-6-23)30(27,28)12-3-4-15(20)14(19)9-12/h3-4,9H,2,5-8,10-11H2,1H3,(H2,21,22,26)