2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl]thio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-2-[[2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl]thio]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C23H17N3O6S2 MolecularWeight: 495.52758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C(=O)O

InChI

InChI=1S/C23H17N3O6S2/c1-10-18-20(28)25-23(26-21(18)34-19(10)22(29)30)33-9-17(27)24-13-8-15-12(7-16(13)31-2)11-5-3-4-6-14(11)32-15/h3-8H,9H2,1-2H3,(H,24,27)(H,29,30)(H,25,26,28)