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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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