N-[4-[4-(3-methylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=CC=NN5

Isomeric SMILES

CC1CN(CCN1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=CC=NN5

InChI

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