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

Systemtic Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-2-methyl-propanoate Openeye Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-2-methyl-propanoate CAS Name: 2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-2-methylpropanoate IUPAC Name: 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-2-methylpropanoate Traditional Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-2-methyl-propionate Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-5-8-6-9-10(16-13(3,4)12(17)18)14-7(2)15-11(9)19-8/h6H,5H2,1-4H3,(H,17,18)(H,14,15,16)