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

Systemtic Name: N-[4-[4-(1H-pyrazol-5-ylamino)-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(1H-pyrazol-5-ylamino)-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(1H-pyrazol-5-ylamino)-6-[2-(1-pyrrolidinyl)ethylamino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(1H-pyrazol-5-ylamino)-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(1H-pyrazol-5-ylamino)-6-(2-pyrrolidinoethylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C23H28N8OS MolecularWeight: 464.58642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=NC(=NC(=C2)NC3=CC=NN3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

C1CCN(C1)CCNC2=NC(=NC(=C2)NC3=CC=NN3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C23H28N8OS/c32-22(16-3-4-16)26-17-5-7-18(8-6-17)33-23-28-20(24-11-14-31-12-1-2-13-31)15-21(29-23)27-19-9-10-25-30-19/h5-10,15-16H,1-4,11-14H2,(H,26,32)(H3,24,25,27,28,29,30)