N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C26H32N8OS MolecularWeight: 504.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=NNC(=C5)C6CC6

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=NNC(=C5)C6CC6

InChI

InChI=1S/C26H32N8OS/c1-2-33-11-13-34(14-12-33)24-16-22(28-23-15-21(31-32-23)17-3-4-17)29-26(30-24)36-20-9-7-19(8-10-20)27-25(35)18-5-6-18/h7-10,15-18H,2-6,11-14H2,1H3,(H,27,35)(H2,28,29,30,31,32)