lithium 2-[[2-(2-methylphenyl)-4-(2-pyrimidin-5-ylethynyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-(2-pyrimidin-5-ylethynyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: lithium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(2-pyrimidin-5-ylethynyl)benzoyl]amino]butanoic acid CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[2-(5-pyrimidinyl)ethynyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-(2-pyrimidin-5-ylethynyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: lithium 4-(methylthio)-2-[[2-(o-tolyl)-4-[2-(5-pyrimidyl)ethynyl]benzoyl]amino]butyric acid Formula: C25H23LiN3O3S+ MolecularWeight: 452.47442

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)C#CC3=CN=CN=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)C#CC3=CN=CN=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H23N3O3S.Li/c1-17-5-3-4-6-20(17)22-13-18(7-8-19-14-26-16-27-15-19)9-10-21(22)24(29)28-23(25(30)31)11-12-32-2;/h3-6,9-10,13-16,23H,11-12H2,1-2H3,(H,28,29)(H,30,31);/q;+1