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

Systemtic Name: N-[4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-[4-(2-hydroxyethyl)piperazino]-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C23H28N8O2S MolecularWeight: 480.58582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCN(CC5)CCO

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCN(CC5)CCO

InChI

InChI=1S/C23H28N8O2S/c32-14-13-30-9-11-31(12-10-30)21-15-20(26-19-7-8-24-29-19)27-23(28-21)34-18-5-3-17(4-6-18)25-22(33)16-1-2-16/h3-8,15-16,32H,1-2,9-14H2,(H,25,33)(H2,24,26,27,28,29)