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

Systemtic Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4,5-dimethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4,5-dimethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C19H24N4O2S MolecularWeight: 372.48446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C)SCC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C)SCC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H24N4O2S/c1-13-14(2)20-19(21-17(13)23-10-8-22(3)9-11-23)26-12-15-4-6-16(7-5-15)18(24)25/h4-7H,8-12H2,1-3H3,(H,24,25)