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

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(1-piperazinyl)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazino-pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C22H26N8OS MolecularWeight: 450.55984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCNCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCNCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C22H26N8OS/c1-14-12-19(29-28-14)25-18-13-20(30-10-8-23-9-11-30)27-22(26-18)32-17-6-4-16(5-7-17)24-21(31)15-2-3-15/h4-7,12-13,15,23H,2-3,8-11H2,1H3,(H,24,31)(H2,25,26,27,28,29)