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

Systemtic Name: 5-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-acetyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-acetylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C22H22N4O4S/c1-15(27)25-9-11-26(12-10-25)20-13-18(16-5-3-2-4-6-16)23-22(24-20)31-14-17-7-8-19(30-17)21(28)29/h2-8,13H,9-12,14H2,1H3,(H,28,29)