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

Systemtic Name: 5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[4-(4-methoxyphenyl)piperazino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N4O4S/c1-15-13-20(24-22(23-15)31-14-18-7-8-19(30-18)21(27)28)26-11-9-25(10-12-26)16-3-5-17(29-2)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,27,28)