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

Systemtic Name: N-[4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-morpholino-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(4-morpholinyl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-morpholino-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCOCC5

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCOCC5

InChI

InChI=1S/C21H23N7O2S/c29-20(14-1-2-14)23-15-3-5-16(6-4-15)31-21-25-18(24-17-7-8-22-27-17)13-19(26-21)28-9-11-30-12-10-28/h3-8,13-14H,1-2,9-12H2,(H,23,29)(H2,22,24,25,26,27)