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

Systemtic Name: N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(4-tert-butyl-1-piperazinyl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(4-tert-butylpiperazino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C25H32N8OS MolecularWeight: 492.63958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N8OS/c1-25(2,3)33-14-12-32(13-15-33)22-16-21(28-20-10-11-26-31-20)29-24(30-22)35-19-8-6-18(7-9-19)27-23(34)17-4-5-17/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,34)(H2,26,28,29,30,31)