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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-amino-2-keto-ethyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C12H13N3O4S2 MolecularWeight: 327.37932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)CC(=O)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)CC(=O)N)C

InChI

InChI=1S/C12H13N3O4S2/c1-5-6(2)21-10-9(5)11(19)15(3-7(13)16)12(14-10)20-4-8(17)18/h3-4H2,1-2H3,(H2,13,16)(H,17,18)