2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine trihydrochloride

Systemtic Name: 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine trihydrochloride Openeye Name: 2-(3-pyridyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine trihydrochloride CAS Name: 2-(3-pyridinyl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-4-quinazolinamine trihydrochloride IUPAC Name: 2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine trihydrochloride Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-[4-(pyrrolidinomethyl)benzyl]amine trihydrochloride Formula: C25H28Cl3N5 MolecularWeight: 504.88232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5.Cl.Cl.Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5.Cl.Cl.Cl

InChI

InChI=1S/C25H25N5.3ClH/c1-2-8-23-22(7-1)25(29-24(28-23)21-6-5-13-26-17-21)27-16-19-9-11-20(12-10-19)18-30-14-3-4-15-30;;;/h1-2,5-13,17H,3-4,14-16,18H2,(H,27,28,29);3*1H