2-methyl-2-[4-[[[6-(3-methylphenyl)pyrimidin-4-yl]amino]methyl]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[[[6-(3-methylphenyl)pyrimidin-4-yl]amino]methyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[[[6-(m-tolyl)pyrimidin-4-yl]amino]methyl]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[[[6-(3-methylphenyl)-4-pyrimidinyl]amino]methyl]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[[[6-(3-methylphenyl)pyrimidin-4-yl]amino]methyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[[[6-(m-tolyl)pyrimidin-4-yl]amino]methyl]phenyl]thio]propionic acid Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NC=N2)NCC3=CC=C(C=C3)SC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NC=N2)NCC3=CC=C(C=C3)SC(C)(C)C(=O)O

InChI

InChI=1S/C22H23N3O2S/c1-15-5-4-6-17(11-15)19-12-20(25-14-24-19)23-13-16-7-9-18(10-8-16)28-22(2,3)21(26)27/h4-12,14H,13H2,1-3H3,(H,26,27)(H,23,24,25)