2-(3-azanyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid

Systemtic Name: 2-(3-azanyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 2-(3-amino-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(3-amino-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 2-(3-amino-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(3-amino-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid Formula: C11H13N3O3S2 MolecularWeight: 299.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)O)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)O)N)C

InChI

InChI=1S/C11H13N3O3S2/c1-4-5(2)18-8-7(4)9(15)14(12)11(13-8)19-6(3)10(16)17/h6H,12H2,1-3H3,(H,16,17)