N-[[6-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl]-2-methyl-pyrimidin-4-amine dihydrochloride

Systemtic Name: N-[[6-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl]-2-methyl-pyrimidin-4-amine dihydrochloride Openeye Name: N-[[6-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl]-2-methyl-pyrimidin-4-amine dihydrochloride CAS Name: N-[[6-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl]-2-methyl-4-pyrimidinamine dihydrochloride IUPAC Name: N-[[6-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl]-2-methylpyrimidin-4-amine dihydrochloride Traditional Name: [6-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl-(2-methylpyrimidin-4-yl)amine dihydrochloride Formula: C21H21Cl3N4 MolecularWeight: 435.77724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)NCN2CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

CC1=NC=CC(=N1)NCN2CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H19ClN4.2ClH/c1-15-23-10-8-21(25-15)24-14-26-11-9-18-12-17(2-3-19(18)13-26)16-4-6-20(22)7-5-16;;/h2-12H,13-14H2,1H3,(H,23,24,25);2*1H