2-[4-chloranyl-6-[(2,4-dimethylphenyl)methylamino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(2,4-dimethylphenyl)methylamino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[(2,4-dimethylphenyl)methylamino]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[(2,4-dimethylphenyl)methylamino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[(2,4-dimethylphenyl)methylamino]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[(2,4-dimethylbenzyl)amino]pyrimidin-2-yl]thio]acetic acid Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC2=CC(=NC(=N2)SCC(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC2=CC(=NC(=N2)SCC(=O)O)Cl)C

InChI

InChI=1S/C15H16ClN3O2S/c1-9-3-4-11(10(2)5-9)7-17-13-6-12(16)18-15(19-13)22-8-14(20)21/h3-6H,7-8H2,1-2H3,(H,20,21)(H,17,18,19)