N-butyl-5-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-butyl-5-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-pentanamide Openeye Name: N-butyl-5-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-pentanamide CAS Name: N-butyl-5-[[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]pentanamide IUPAC Name: N-butyl-5-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpentanamide Traditional Name: N-butyl-5-[[5-(2-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]valeramide Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2F)C

Isomeric SMILES

CCCCNC(=O)CCCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2F)C

InChI

InChI=1S/C22H30FN3O2S/c1-4-5-13-24-20(27)12-8-9-14-29-22-25-16(2)18(21(28)26(22)3)15-17-10-6-7-11-19(17)23/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,24,27)