2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyldecanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyldecanoic acid Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyldecanoic acid CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]decanoic acid IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyldecanoic acid Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]capric acid Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C22H30ClN3O2S/c1-4-5-6-7-8-9-13-18(21(27)28)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(2)16(17)3/h10-12,14,18H,4-9,13H2,1-3H3,(H,27,28)(H,24,25,26)