N-[4-[4-(4-methylsulfonylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-(4-methylsulfonylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(4-methylsulfonylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(4-methylsulfonyl-1-piperazinyl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(4-methylsulfonylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(4-mesylpiperazino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C22H26N8O3S2 MolecularWeight: 514.62364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=CC=NN5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=CC=NN5

InChI

InChI=1S/C22H26N8O3S2/c1-35(32,33)30-12-10-29(11-13-30)20-14-19(25-18-8-9-23-28-18)26-22(27-20)34-17-6-4-16(5-7-17)24-21(31)15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,31)(H2,23,25,26,27,28)