N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-(methylthio)nicotinamide Formula: C23H27N7O2S MolecularWeight: 465.57118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=C(N=CC=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=C(N=CC=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C23H27N7O2S/c1-16(31)24-11-12-25-19-15-20(30-21(29-19)17-7-4-3-5-8-17)26-13-14-27-22(32)18-9-6-10-28-23(18)33-2/h3-10,15H,11-14H2,1-2H3,(H,24,31)(H,27,32)(H2,25,26,29,30)