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

Systemtic Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-16-14-21(25-23(24-16)32-15-19-8-9-20(31-19)22(28)29)27-12-10-26(11-13-27)17-4-6-18(30-2)7-5-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,28,29)