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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: 1-phenylethyl-[4-[5-(piperonylamino)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C27H24N6O2 MolecularWeight: 464.51846

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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H24N6O2/c1-18(20-5-3-2-4-6-20)31-27-28-12-11-26(32-27)33-16-30-22-14-21(8-9-23(22)33)29-15-19-7-10-24-25(13-19)35-17-34-24/h2-14,16,18,29H,15,17H2,1H3,(H,28,31,32)