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

Systemtic Name: N-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(4-ethyl-1-piperazinyl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(4-ethylpiperazin-1-yl)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(4-ethylpiperazino)-6-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C25H32N8OS MolecularWeight: 492.63958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)CC)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CCC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)CC)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C25H32N8OS/c1-3-18-15-22(31-30-18)27-21-16-23(33-13-11-32(4-2)12-14-33)29-25(28-21)35-20-9-7-19(8-10-20)26-24(34)17-5-6-17/h7-10,15-17H,3-6,11-14H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)