2-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)[NH2+]CC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)[NH2+]CC(=O)[O-])C

InChI

InChI=1S/C12H13N3O4S/c1-3-19-12(18)9-6(2)8-10(13-4-7(16)17)14-5-15-11(8)20-9/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)