4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]pyrimidin-2-amine dihydrochloride

Systemtic Name: 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]pyrimidin-2-amine dihydrochloride Openeye Name: 4-[4-[4-(4-chlorophenyl)-4-piperidyl]phenyl]pyrimidin-2-amine dihydrochloride CAS Name: 4-[4-[4-(4-chlorophenyl)-4-piperidinyl]phenyl]-2-pyrimidinamine dihydrochloride IUPAC Name: 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]pyrimidin-2-amine dihydrochloride Traditional Name: [4-[4-[4-(4-chlorophenyl)-4-piperidyl]phenyl]pyrimidin-2-yl]amine dihydrochloride Formula: C21H23Cl3N4 MolecularWeight: 437.79312

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=C(C=C2)C3=NC(=NC=C3)N)C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

C1CNCCC1(C2=CC=C(C=C2)C3=NC(=NC=C3)N)C4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H21ClN4.2ClH/c22-18-7-5-17(6-8-18)21(10-13-24-14-11-21)16-3-1-15(2-4-16)19-9-12-25-20(23)26-19;;/h1-9,12,24H,10-11,13-14H2,(H2,23,25,26);2*1H