3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(phenylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(phenylmethyl)benzimidazole-5-carboxamide Openeye Name: N-benzyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxamide CAS Name: 3-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(phenylmethyl)-5-benzimidazolecarboxamide IUPAC Name: N-benzyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxamide Traditional Name: N-benzyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxamide Formula: C27H24N6O MolecularWeight: 448.51906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N6O/c1-19(21-10-6-3-7-11-21)31-27-28-15-14-25(32-27)33-18-30-23-13-12-22(16-24(23)33)26(34)29-17-20-8-4-2-5-9-20/h2-16,18-19H,17H2,1H3,(H,29,34)(H,28,31,32)