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

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-oxo-3-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[2-(phenylthio)anilino]ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H17N3O4S2/c1-13-18-20(31-19(13)22(28)29)23-12-25(21(18)27)11-17(26)24-15-9-5-6-10-16(15)30-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,24,26)(H,28,29)