N-[(4-fluorophenyl)methyl]-1-methyl-2-(2-methyl-6-methylsulfanyl-hexan-2-yl)-5,6-bis(oxidanylidene)-4H-pyrimidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-(2-methyl-6-methylsulfanyl-hexan-2-yl)-5,6-bis(oxidanylidene)-4H-pyrimidine-4-carboxamide Openeye Name: 2-(1,1-dimethyl-5-methylsulfanyl-pentyl)-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-[2-methyl-6-(methylthio)hexan-2-yl]-5,6-dioxo-4H-pyrimidine-4-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-(2-methyl-6-methylsulfanylhexan-2-yl)-5,6-dioxo-4H-pyrimidine-4-carboxamide Traditional Name: 2-[1,1-dimethyl-5-(methylthio)pentyl]-N-(4-fluorobenzyl)-5,6-diketo-1-methyl-4H-pyrimidine-4-carboxamide Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCSC)C1=NC(C(=O)C(=O)N1C)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(CCCCSC)C1=NC(C(=O)C(=O)N1C)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H28FN3O3S/c1-21(2,11-5-6-12-29-4)20-24-16(17(26)19(28)25(20)3)18(27)23-13-14-7-9-15(22)10-8-14/h7-10,16H,5-6,11-13H2,1-4H3,(H,23,27)