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

Systemtic Name: 5-methyl-3-[(5-methylthiophen-3-yl)carbonylamino]-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[(5-methylthiophene-3-carbonyl)amino]-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[[(5-methyl-3-thiophenyl)-oxomethyl]amino]-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-3-[(5-methylthiophene-3-carbonyl)amino]-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-3-[(5-methylthiophene-3-carbonyl)amino]-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H11N3O4S3 MolecularWeight: 381.44984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)NN2C(=O)C3=C(NC2=S)SC(=C3C)C(=O)O

Isomeric SMILES

CC1=CC(=CS1)C(=O)NN2C(=O)C3=C(NC2=S)SC(=C3C)C(=O)O

InChI

InChI=1S/C14H11N3O4S3/c1-5-3-7(4-23-5)10(18)16-17-12(19)8-6(2)9(13(20)21)24-11(8)15-14(17)22/h3-4H,1-2H3,(H,15,22)(H,16,18)(H,20,21)