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

Systemtic Name: (2S)-4-methylsulfanyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]butanoate CAS Name: (2S)-2-[(6-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=CN=C2S1)[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(N=CN=C2S1)[NH2+][C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H15N3O2S2/c1-7-5-8-10(13-6-14-11(8)19-7)15-9(12(16)17)3-4-18-2/h5-6,9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)/t9-/m0/s1