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

Systemtic Name: 3-[(3,5-dimethoxyphenyl)carbonylamino]-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[(3,5-dimethoxybenzoyl)amino]-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 3-[(3,5-dimethoxybenzoyl)amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[(3,5-dimethoxybenzoyl)amino]-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC(=CC(=C3)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC(=CC(=C3)OC)OC)C(=O)O

InChI

InChI=1S/C17H15N3O6S2/c1-7-11-14(28-12(7)16(23)24)18-17(27)20(15(11)22)19-13(21)8-4-9(25-2)6-10(5-8)26-3/h4-6H,1-3H3,(H,18,27)(H,19,21)(H,23,24)