(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylthio)butyrate Formula: C11H16N3O2S- MolecularWeight: 254.32864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C11H17N3O2S/c1-7-6-8(2)13-11(12-7)14-9(10(15)16)4-5-17-3/h6,9H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)/p-1/t9-/m0/s1