N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: 1-phenylethyl-[4-[5-(veratrylamino)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C28H28N6O2 MolecularWeight: 480.56092

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)NCC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C28H28N6O2/c1-19(21-7-5-4-6-8-21)32-28-29-14-13-27(33-28)34-18-31-23-16-22(10-11-24(23)34)30-17-20-9-12-25(35-2)26(15-20)36-3/h4-16,18-19,30H,17H2,1-3H3,(H,29,32,33)