4-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-2-amine

Systemtic Name: 4-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-2-amine Openeye Name: 4-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-2-amine CAS Name: 4-[1-[2-(methylthio)-4-pyrimidinyl]-5-benzimidazolyl]-N-[(2,4,6-trimethoxyphenyl)methyl]-2-pyrimidinamine IUPAC Name: 4-[1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-5-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-2-amine Traditional Name: [4-[1-[2-(methylthio)pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]-(2,4,6-trimethoxybenzyl)amine Formula: C26H25N7O3S MolecularWeight: 515.5868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CNC2=NC=CC(=N2)C3=CC4=C(C=C3)N(C=N4)C5=NC(=NC=C5)SC)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CNC2=NC=CC(=N2)C3=CC4=C(C=C3)N(C=N4)C5=NC(=NC=C5)SC)OC

InChI

InChI=1S/C26H25N7O3S/c1-34-17-12-22(35-2)18(23(13-17)36-3)14-29-25-27-9-7-19(31-25)16-5-6-21-20(11-16)30-15-33(21)24-8-10-28-26(32-24)37-4/h5-13,15H,14H2,1-4H3,(H,27,29,31)