5-[[4-(4-ethanoylpiperazin-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(4-ethanoylpiperazin-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-acetyl-1-piperazinyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-acetylpiperazino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H24N4O4S/c1-12(2)15-10-17(23-8-6-22(7-9-23)13(3)24)21-19(20-15)28-11-14-4-5-16(27-14)18(25)26/h4-5,10,12H,6-9,11H2,1-3H3,(H,25,26)