2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)C

InChI

InChI=1S/C22H25N5OS/c1-15-12-16(2)25-22(24-15)29-14-21(28)26-19-6-7-20(27-10-4-3-5-11-27)17-8-9-23-13-18(17)19/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,26,28)