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

Systemtic Name: 5-methyl-3-[2-(1-methylpyrrol-2-yl)ethanoylamino]-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]amino]-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H14N4O4S2 MolecularWeight: 378.42606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)CC3=CC=CN3C)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)CC3=CC=CN3C)C(=O)O

InChI

InChI=1S/C15H14N4O4S2/c1-7-10-12(25-11(7)14(22)23)16-15(24)19(13(10)21)17-9(20)6-8-4-3-5-18(8)2/h3-5H,6H2,1-2H3,(H,16,24)(H,17,20)(H,22,23)