3-chloranyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine

Systemtic Name: 3-chloranyl-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine Openeye Name: 3-chloro-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine CAS Name: 3-chloro-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-[1-(methylthio)-2-benzimidazolyl]-4-pyridinamine IUPAC Name: 3-chloro-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine Traditional Name: [3-chloro-2-[1-(methylthio)benzimidazol-2-yl]-4-pyridyl]-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-methyl-amine Formula: C27H30ClN5O2S MolecularWeight: 524.0774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=C(C(=NC=C3)C4=NC5=CC=CC=C5N4SC)Cl

Isomeric SMILES

CN(CCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=C(C(=NC=C3)C4=NC5=CC=CC=C5N4SC)Cl

InChI

InChI=1S/C27H30ClN5O2S/c1-31(13-14-32-12-10-18-15-23(34-2)24(35-3)16-19(18)17-32)22-9-11-29-26(25(22)28)27-30-20-7-5-6-8-21(20)33(27)36-4/h5-9,11,15-16H,10,12-14,17H2,1-4H3