2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-15-6-9-25(10-7-15)19-12-18(22)23-21(24-19)28-14-20(27)26-11-8-16-4-2-3-5-17(16)13-26/h2-5,12,15H,6-11,13-14H2,1H3