2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(4-fluorophenyl)-1-methyl-6-oxo-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(4-fluorophenyl)-6-keto-1-methyl-pyrimidine-5-carboxamide Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O3S/c1-24-19(28)16(18(27)23-15-8-6-14(21)7-9-15)12-22-20(24)29-13-17(26)25-10-4-2-3-5-11-25/h6-9,12H,2-5,10-11,13H2,1H3,(H,23,27)