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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dimethoxy-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dimethoxy-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2,3-dimethoxybenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dimethoxybenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2,3-dimethoxy-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-13-12-14(2)23-21(22-13)28-16-10-8-15(9-11-16)24-20(25)17-6-5-7-18(26-3)19(17)27-4/h5-12H,1-4H3,(H,24,25)