2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-3,3-diphenyl-propanoic acid

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-3,3-diphenyl-propanoic acid Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-3,3-diphenyl-propanoic acid CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(methylthio)-3,3-diphenylpropanoic acid IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-3,3-diphenylpropanoic acid Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(methylthio)-3,3-diphenyl-propionic acid Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC)C

InChI

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