3-[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H13N3O7S2 MolecularWeight: 435.43102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)COC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)COC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C17H13N3O7S2/c1-7-12-14(29-13(7)16(23)24)18-17(28)20(15(12)22)19-11(21)5-25-8-2-3-9-10(4-8)27-6-26-9/h2-4H,5-6H2,1H3,(H,18,28)(H,19,21)(H,23,24)