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

Systemtic Name: 2-[(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(6-ethyl-2-methylsulfanyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[[6-ethyl-2-(methylthio)-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[(6-ethyl-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[[6-ethyl-2-(methylthio)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2S2/c1-3-6-4-7-9(12-5-8(15)16)13-11(17-2)14-10(7)18-6/h4H,3,5H2,1-2H3,(H,15,16)(H,12,13,14)