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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-6-7(2)18-10-8(6)9(13-5-14-10)15-12(3,4)11(16)17/h5H,1-4H3,(H,16,17)(H,13,14,15)