N-(1-phenylethyl)-4-[5-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]pyrimidin-2-amine

Systemtic Name: N-(1-phenylethyl)-4-[5-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]pyrimidin-2-amine Openeye Name: N-(1-phenylethyl)-4-[5-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]pyrimidin-2-amine CAS Name: N-(1-phenylethyl)-4-[5-(3,4,5-trimethoxyphenyl)-1-benzimidazolyl]-2-pyrimidinamine IUPAC Name: N-(1-phenylethyl)-4-[5-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]pyrimidin-2-amine Traditional Name: 1-phenylethyl-[4-[5-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C28H27N5O3 MolecularWeight: 481.54568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C28H27N5O3/c1-18(19-8-6-5-7-9-19)31-28-29-13-12-26(32-28)33-17-30-22-14-20(10-11-23(22)33)21-15-24(34-2)27(36-4)25(16-21)35-3/h5-18H,1-4H3,(H,29,31,32)