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

Systemtic Name: 5-methyl-4-oxidanylidene-3-[(4-propan-2-ylphenyl)carbonylamino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[(4-isopropylbenzoyl)amino]-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-3-[(4-propan-2-ylbenzoyl)amino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(cumoylamino)-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c1-8(2)10-4-6-11(7-5-10)14(22)20-21-16(23)12-9(3)13(17(24)25)27-15(12)19-18(21)26/h4-8H,1-3H3,(H,19,26)(H,20,22)(H,24,25)