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

Systemtic Name: N-(4-fluorophenyl)-1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxamide Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: N-(4-fluorophenyl)-1-methyl-6-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-N-(4-fluorophenyl)-6-keto-1-methyl-pyrimidine-5-carboxamide Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN4O3S/c1-26-20(29)17(19(28)25-16-9-7-15(22)8-10-16)12-24-21(26)30-13-18(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,23,27)(H,25,28)