4-(4-methylpiperazin-1-yl)-6-(3-phenylphenyl)pyrimidin-2-amine trihydrochloride

Systemtic Name: 4-(4-methylpiperazin-1-yl)-6-(3-phenylphenyl)pyrimidin-2-amine trihydrochloride Openeye Name: 4-(4-methylpiperazin-1-yl)-6-(3-phenylphenyl)pyrimidin-2-amine trihydrochloride CAS Name: 4-(4-methyl-1-piperazinyl)-6-(3-phenylphenyl)-2-pyrimidinamine trihydrochloride IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-(3-phenylphenyl)pyrimidin-2-amine trihydrochloride Traditional Name: [4-(4-methylpiperazino)-6-(3-phenylphenyl)pyrimidin-2-yl]amine trihydrochloride Formula: C21H26Cl3N5 MolecularWeight: 454.82364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC(=C3)C4=CC=CC=C4)N.Cl.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC(=C3)C4=CC=CC=C4)N.Cl.Cl.Cl

InChI

InChI=1S/C21H23N5.3ClH/c1-25-10-12-26(13-11-25)20-15-19(23-21(22)24-20)18-9-5-8-17(14-18)16-6-3-2-4-7-16;;;/h2-9,14-15H,10-13H2,1H3,(H2,22,23,24);3*1H