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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-(methylthio)benzamide Formula: C24H28N6O2S MolecularWeight: 464.58312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CC=C2SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CC=C2SC)C3=CC=CC=C3

InChI

InChI=1S/C24H28N6O2S/c1-17(31)25-12-13-26-21-16-22(30-23(29-21)18-8-4-3-5-9-18)27-14-15-28-24(32)19-10-6-7-11-20(19)33-2/h3-11,16H,12-15H2,1-2H3,(H,25,31)(H,28,32)(H2,26,27,29,30)