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

Systemtic Name: 5-[[4-(4-ethanoylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-acetyl-1-piperazinyl)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-acetylpiperazino)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C18H22N4O5S/c1-12(23)21-5-7-22(8-6-21)16-9-13(10-26-2)19-18(20-16)28-11-14-3-4-15(27-14)17(24)25/h3-4,9H,5-8,10-11H2,1-2H3,(H,24,25)