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

Systemtic Name: N-[4-[4-piperazin-1-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-piperazin-1-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(1-piperazinyl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-piperazin-1-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-piperazino-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C21H24N8OS MolecularWeight: 436.53326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCNCC5

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCNCC5

InChI

InChI=1S/C21H24N8OS/c30-20(14-1-2-14)24-15-3-5-16(6-4-15)31-21-26-18(25-17-7-8-23-28-17)13-19(27-21)29-11-9-22-10-12-29/h3-8,13-14,22H,1-2,9-12H2,(H,24,30)(H2,23,25,26,27,28)