N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-(1H-benzimidazol-2-ylsulfanyl)acetamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-(1H-benzimidazol-2-ylthio)acetamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(1H-benzimidazol-2-ylsulfanyl)acetamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-(1H-benzimidazol-2-ylthio)acetamide Formula: C25H28N8O2S MolecularWeight: 504.60722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NCCNC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NCCNC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H28N8O2S/c1-17(34)26-11-12-27-21-15-22(33-24(32-21)18-7-3-2-4-8-18)28-13-14-29-23(35)16-36-25-30-19-9-5-6-10-20(19)31-25/h2-10,15H,11-14,16H2,1H3,(H,26,34)(H,29,35)(H,30,31)(H2,27,28,32,33)