2-[3-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-amino-1-methyl-2-oxo-ethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(1-amino-1-oxopropan-2-yl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(1-amino-1-oxopropan-2-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-amino-2-keto-1-methyl-ethyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

Isomeric SMILES

CC(C(=O)N)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

InChI

InChI=1S/C11H11N3O4S2/c1-5(9(12)17)14-10(18)8-6(2-3-19-8)13-11(14)20-4-7(15)16/h2-3,5H,4H2,1H3,(H2,12,17)(H,15,16)