6-[(4-chlorophenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one Formula: C20H18ClN3OS MolecularWeight: 383.89442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3OS/c21-16-5-7-18(8-6-16)26-13-17-11-19(25)23-20(22-17)24-10-9-14-3-1-2-4-15(14)12-24/h1-8,11H,9-10,12-13H2,(H,22,23,25)