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

Systemtic Name: 2-[(6-ethyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(6-ethyl-2-isopropyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(6-ethyl-2-propan-2-yl-4-thieno[2,3-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(6-ethyl-2-isopropyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-4-8-5-9-12(14-6-10(17)18)15-11(7(2)3)16-13(9)19-8/h5,7H,4,6H2,1-3H3,(H,17,18)(H,14,15,16)