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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: m-anisyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C27H26N6O MolecularWeight: 450.53494

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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=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O/c1-19(21-8-4-3-5-9-21)31-27-28-14-13-26(32-27)33-18-30-24-16-22(11-12-25(24)33)29-17-20-7-6-10-23(15-20)34-2/h3-16,18-19,29H,17H2,1-2H3,(H,28,31,32)