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

Systemtic Name: N-[4-[4-(2-dimethylaminoethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(2-dimethylaminoethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(2-dimethylaminoethylamino)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(2-dimethylaminoethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(2-dimethylaminoethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C21H26N8OS MolecularWeight: 438.54914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC(=NC(=C1)NC2=CC=NN2)SC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CN(C)CCNC1=NC(=NC(=C1)NC2=CC=NN2)SC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H26N8OS/c1-29(2)12-11-22-18-13-19(25-17-9-10-23-28-17)27-21(26-18)31-16-7-5-15(6-8-16)24-20(30)14-3-4-14/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,30)(H3,22,23,25,26,27,28)