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

Systemtic Name: (2S)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]butanoate CAS Name: (2S)-3-methyl-2-[(6-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]butyrate Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-6(2)9(12(16)17)15-10-8-4-7(3)18-11(8)14-5-13-10/h4-6,9H,1-3H3,(H,16,17)(H,13,14,15)/t9-/m0/s1