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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-butyl-propanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-butyl-propanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-butylpropanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-butylpropanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-butyl-propionamide Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O2S/c1-5-6-11-22-18(25)14(3)27-20-23-13(2)17(19(26)24(20)4)12-15-7-9-16(21)10-8-15/h7-10,14H,5-6,11-12H2,1-4H3,(H,22,25)