N-[2-(4-bromophenyl)sulfanylethyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C17H20BrN3O2S MolecularWeight: 410.3286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O2S/c1-11-15(17(23)21-12(2)20-11)7-8-16(22)19-9-10-24-14-5-3-13(18)4-6-14/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,21,23)