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

Systemtic Name: N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C26H25N7OS MolecularWeight: 483.588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=CC=NN4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C26H25N7OS/c34-25(18-5-6-18)28-20-7-9-21(10-8-20)35-26-30-23(29-22-11-13-27-32-22)15-24(31-26)33-14-12-17-3-1-2-4-19(17)16-33/h1-4,7-11,13,15,18H,5-6,12,14,16H2,(H,28,34)(H2,27,29,30,31,32)