N-[4-[1-methylsulfonyl-4-[2-[[3-(2-morpholin-4-ylethyl)phenyl]amino]pyrimidin-4-yl]pyrazol-3-yl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[1-methylsulfonyl-4-[2-[[3-(2-morpholin-4-ylethyl)phenyl]amino]pyrimidin-4-yl]pyrazol-3-yl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[1-methylsulfonyl-4-[2-[3-(2-morpholinoethyl)anilino]pyrimidin-4-yl]pyrazol-3-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[1-methylsulfonyl-4-[2-[3-[2-(4-morpholinyl)ethyl]anilino]-4-pyrimidinyl]-3-pyrazolyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[1-methylsulfonyl-4-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]pyrazol-3-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[1-mesyl-4-[2-[3-(2-morpholinoethyl)anilino]pyrimidin-4-yl]pyrazol-3-yl]phenyl]cyclopropanecarboxamide Formula: C30H33N7O4S MolecularWeight: 587.69252

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C3CC3)C4=NC(=NC=C4)NC5=CC=CC(=C5)CCN6CCOCC6

Isomeric SMILES

CS(=O)(=O)N1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C3CC3)C4=NC(=NC=C4)NC5=CC=CC(=C5)CCN6CCOCC6

InChI

InChI=1S/C30H33N7O4S/c1-42(39,40)37-20-26(28(35-37)22-7-9-24(10-8-22)32-29(38)23-5-6-23)27-11-13-31-30(34-27)33-25-4-2-3-21(19-25)12-14-36-15-17-41-18-16-36/h2-4,7-11,13,19-20,23H,5-6,12,14-18H2,1H3,(H,32,38)(H,31,33,34)