5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide

Systemtic Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide Openeye Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide CAS Name: 5-[[[4-tert-butyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-cyclopropyl-2-furancarboxamide IUPAC Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide Traditional Name: 5-[[[4-tert-butyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-2-furamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)SCC3=CC=C(O3)C(=O)NC4CC4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)SCC3=CC=C(O3)C(=O)NC4CC4

InChI

InChI=1S/C23H33N5O2S/c1-5-27-10-12-28(13-11-27)20-14-19(23(2,3)4)25-22(26-20)31-15-17-8-9-18(30-17)21(29)24-16-6-7-16/h8-9,14,16H,5-7,10-13,15H2,1-4H3,(H,24,29)