5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-tert-butyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-tert-butyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C20H28N4O3S MolecularWeight: 404.52632

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-5-23-8-10-24(11-9-23)17-12-16(20(2,3)4)21-19(22-17)28-13-14-6-7-15(27-14)18(25)26/h6-7,12H,5,8-11,13H2,1-4H3,(H,25,26)