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

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonylamino]-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(3,4-dimethylbenzoyl)amino]-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[[(3,4-dimethylphenyl)-oxomethyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 3-[(3,4-dimethylbenzoyl)amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(3,4-dimethylbenzoyl)amino]-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H14N3O4S2- MolecularWeight: 388.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN2C(=O)C3=C(NC2=S)SC(=C3C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NN2C(=O)C3=C(NC2=S)SC(=C3C)C(=O)[O-])C

InChI

InChI=1S/C17H15N3O4S2/c1-7-4-5-10(6-8(7)2)13(21)19-20-15(22)11-9(3)12(16(23)24)26-14(11)18-17(20)25/h4-6H,1-3H3,(H,18,25)(H,19,21)(H,23,24)/p-1