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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C19H23ClN4OS/c1-3-23(4-2)17-11-16(20)21-19(22-17)26-13-18(25)24-10-9-14-7-5-6-8-15(14)12-24/h5-8,11H,3-4,9-10,12-13H2,1-2H3