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

Systemtic Name: 5-[[4-(4-ethanoylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-acetyl-1-piperazinyl)-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-acetylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H20N4O4S/c1-11-9-15(21-7-5-20(6-8-21)12(2)22)19-17(18-11)26-10-13-3-4-14(25-13)16(23)24/h3-4,9H,5-8,10H2,1-2H3,(H,23,24)