N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[2-(1-piperidyl)ethylamino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[2-(1-piperidinyl)ethylamino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-piperidinoethylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C25H32N8OS MolecularWeight: 492.63958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NCCN5CCCCC5

Isomeric SMILES

CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NCCN5CCCCC5

InChI

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