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

Systemtic Name: 3-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine Openeye Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine CAS Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-methyl-2-[1-(methylthio)-2-benzimidazolyl]-4-pyridinamine IUPAC Name: 3-chloro-N-[2-(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-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-methyl-amine Formula: C25H26ClN5S MolecularWeight: 464.02544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN5S/c1-29(15-16-30-14-12-18-7-3-4-8-19(18)17-30)22-11-13-27-24(23(22)26)25-28-20-9-5-6-10-21(20)31(25)32-2/h3-11,13H,12,14-17H2,1-2H3