2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]ethyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethyl]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CSCCNC(=O)CN2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CSCCNC(=O)CN2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C20H26N4O3S/c1-26-19-11-20(27-2)23-17(22-19)14-28-10-8-21-18(25)13-24-9-7-15-5-3-4-6-16(15)12-24/h3-6,11H,7-10,12-14H2,1-2H3,(H,21,25)