[3-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [3-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C31H29Cl2N5OS MolecularWeight: 590.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)CSC4=NC(=CC(=N4)Cl)N5CCN(CC5)C6=CC(=CC=C6)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)CSC4=NC(=CC(=N4)Cl)N5CCN(CC5)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C31H29Cl2N5OS/c32-26-9-4-10-27(18-26)36-13-15-37(16-14-36)29-19-28(33)34-31(35-29)40-21-22-5-3-8-24(17-22)30(39)38-12-11-23-6-1-2-7-25(23)20-38/h1-10,17-19H,11-16,20-21H2