4-bromanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,5-dimethoxy-benzamide

Systemtic Name: 4-bromanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,5-dimethoxy-benzamide Openeye Name: 4-bromo-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,5-dimethoxy-benzamide CAS Name: 4-bromo-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3,5-dimethoxybenzamide IUPAC Name: 4-bromo-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,5-dimethoxybenzamide Traditional Name: 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3,5-dimethoxy-benzamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC)C

InChI

InChI=1S/C21H20BrN3O3S/c1-12-9-13(2)24-21(23-12)29-16-7-5-15(6-8-16)25-20(26)14-10-17(27-3)19(22)18(11-14)28-4/h5-11H,1-4H3,(H,25,26)