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

Systemtic Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]butanoate CAS Name: (2S)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanoate IUPAC Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]butyrate Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC=N1)C)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC=N1)C)C

InChI

InChI=1S/C12H15N3O2S/c1-4-8(12(16)17)15-10-9-6(2)7(3)18-11(9)14-5-13-10/h5,8H,4H2,1-3H3,(H,16,17)(H,13,14,15)/t8-/m0/s1