(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]C(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+][C@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C13H17N3O2S2/c1-7-8(2)20-12-10(7)11(14-6-15-12)16-9(13(17)18)4-5-19-3/h6,9H,4-5H2,1-3H3,(H,17,18)(H,14,15,16)/t9-/m1/s1