N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

InChI

InChI=1S/C25H24N4O2S/c1-16-14-17(2)27-25(26-16)32-21-10-8-20(9-11-21)28-24(31)15-23-22-7-5-4-6-19(22)12-13-29(23)18(3)30/h4-14,23H,15H2,1-3H3,(H,28,31)