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

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-13-19(21(27)24-14(2)23-13)11-12-20(26)25-16-5-9-18(10-6-16)28-17-7-3-15(22)4-8-17/h3-10H,11-12H2,1-2H3,(H,25,26)(H,23,24,27)