3-(6-aminocarbonyl-2-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 3-(6-aminocarbonyl-2-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 3-(6-carbamoyl-2-ethyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(6-carbamoyl-2-ethyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoate IUPAC Name: 3-(6-carbamoyl-2-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(6-carbamoyl-2-ethyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)propionate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=C(S2)C(=O)N)C)C(=O)N1CCC(=O)[O-]

Isomeric SMILES

CCC1=NC2=C(C(=C(S2)C(=O)N)C)C(=O)N1CCC(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-3-7-15-12-9(6(2)10(21-12)11(14)19)13(20)16(7)5-4-8(17)18/h3-5H2,1-2H3,(H2,14,19)(H,17,18)/p-1