3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-5,6-dimethyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-[4-(4-methoxyphenyl)piperazino]-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C3=CC=C(C=C3)OC)SCC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C3=CC=C(C=C3)OC)SCC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C25H28N4O3S/c1-17-18(2)26-25(33-16-19-5-4-6-20(15-19)24(30)31)27-23(17)29-13-11-28(12-14-29)21-7-9-22(32-3)10-8-21/h4-10,15H,11-14,16H2,1-3H3,(H,30,31)