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

Systemtic Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(6-ethylthieno[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:

CCC1=CC2=C(N=CN=C2S1)[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)[NH2+][C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H17N3O2S2/c1-3-8-6-9-11(14-7-15-12(9)20-8)16-10(13(17)18)4-5-19-2/h6-7,10H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)/t10-/m1/s1