N2-[3-(1H-benzimidazol-2-yl)phenyl]-N4-(5-methoxy-2-methyl-phenyl)pyrimidine-2,4-diamine hydrochloride

Systemtic Name: N2-[3-(1H-benzimidazol-2-yl)phenyl]-N4-(5-methoxy-2-methyl-phenyl)pyrimidine-2,4-diamine hydrochloride Openeye Name: N2-[3-(1H-benzimidazol-2-yl)phenyl]-N4-(5-methoxy-2-methyl-phenyl)pyrimidine-2,4-diamine hydrochloride CAS Name: N2-[3-(1H-benzimidazol-2-yl)phenyl]-N4-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine hydrochloride IUPAC Name: 2-N-[3-(1H-benzimidazol-2-yl)phenyl]-4-N-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-[3-(1H-benzimidazol-2-yl)anilino]pyrimidin-4-yl]-(5-methoxy-2-methyl-phenyl)amine hydrochloride Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OC)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4.Cl

InChI

InChI=1S/C25H22N6O.ClH/c1-16-10-11-19(32-2)15-22(16)28-23-12-13-26-25(31-23)27-18-7-5-6-17(14-18)24-29-20-8-3-4-9-21(20)30-24;/h3-15H,1-2H3,(H,29,30)(H2,26,27,28,31);1H