N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-sulfanyl-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-sulfanyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-sulfanyl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-mercaptobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-sulfanylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-mercapto-benzamide Formula: C23H26N6O2S MolecularWeight: 450.55654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CC=C2S)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CC=C2S)C3=CC=CC=C3

InChI

InChI=1S/C23H26N6O2S/c1-16(30)24-11-12-25-20-15-21(29-22(28-20)17-7-3-2-4-8-17)26-13-14-27-23(31)18-9-5-6-10-19(18)32/h2-10,15,32H,11-14H2,1H3,(H,24,30)(H,27,31)(H2,25,26,28,29)