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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-butan-2-yl-pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-sec-butyl-pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-butan-2-ylpentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-butan-2-ylpentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-sec-butyl-valeramide Formula: C22H30BrN3O2S MolecularWeight: 480.4615

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C)CC)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCC(C(=O)NC(C)CC)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C22H30BrN3O2S/c1-6-8-19(20(27)24-14(3)7-2)29-22-25-15(4)18(21(28)26(22)5)13-16-9-11-17(23)12-10-16/h9-12,14,19H,6-8,13H2,1-5H3,(H,24,27)