5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-2-18-14-21(25-23(24-18)31-16-19-8-9-20(30-19)22(28)29)27-12-10-26(11-13-27)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,28,29)