N-[(4-dimethylaminophenyl)methyl]-2-pyridin-3-yl-quinazolin-4-amine trihydrochloride

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-pyridin-3-yl-quinazolin-4-amine trihydrochloride Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(3-pyridyl)quinazolin-4-amine trihydrochloride CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-(3-pyridinyl)-4-quinazolinamine trihydrochloride IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine trihydrochloride Traditional Name: dimethyl-[4-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]phenyl]amine trihydrochloride Formula: C22H24Cl3N5 MolecularWeight: 464.81846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl.Cl.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl.Cl.Cl

InChI

InChI=1S/C22H21N5.3ClH/c1-27(2)18-11-9-16(10-12-18)14-24-22-19-7-3-4-8-20(19)25-21(26-22)17-6-5-13-23-15-17;;;/h3-13,15H,14H2,1-2H3,(H,24,25,26);3*1H