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

Systemtic Name: 5-methyl-4-oxidanylidene-3-[(4-propoxyphenyl)carbonylamino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-[(4-propoxybenzoyl)amino]-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[[oxo-(4-propoxyphenyl)methyl]amino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-3-[(4-propoxybenzoyl)amino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-3-[(4-propoxybenzoyl)amino]-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(NC2=S)SC(=C3C)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(NC2=S)SC(=C3C)C(=O)O

InChI

InChI=1S/C18H17N3O5S2/c1-3-8-26-11-6-4-10(5-7-11)14(22)20-21-16(23)12-9(2)13(17(24)25)28-15(12)19-18(21)27/h4-7H,3,8H2,1-2H3,(H,19,27)(H,20,22)(H,24,25)