2,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyrimidine hydrate trihydrochloride

Systemtic Name: 2,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyrimidine hydrate trihydrochloride Openeye Name: 2,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyrimidine hydrate trihydrochloride CAS Name: 2,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyrimidine hydrate trihydrochloride IUPAC Name: 2,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyrimidine hydrate trihydrochloride Traditional Name: 2,4-bis[4-(2-imidazolin-2-yl)phenyl]pyrimidine hydrate trihydrochloride Formula: C22H25Cl3N6O MolecularWeight: 495.8325

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC=C(C=C2)C3=NC(=NC=C3)C4=CC=C(C=C4)C5=NCCN5.O.Cl.Cl.Cl

Isomeric SMILES

C1CN=C(N1)C2=CC=C(C=C2)C3=NC(=NC=C3)C4=CC=C(C=C4)C5=NCCN5.O.Cl.Cl.Cl

InChI

InChI=1S/C22H20N6.3ClH.H2O/c1-3-16(20-24-11-12-25-20)4-2-15(1)19-9-10-23-22(28-19)18-7-5-17(6-8-18)21-26-13-14-27-21;;;;/h1-10H,11-14H2,(H,24,25)(H,26,27);3*1H;1H2