5-methyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-prop-2-ynylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-(prop-2-ynylthio)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-prop-2-ynylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-(propargylthio)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C11H8N2O3S2 MolecularWeight: 280.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC#C)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC#C)C(=O)O

InChI

InChI=1S/C11H8N2O3S2/c1-3-4-17-11-12-8(14)6-5(2)7(10(15)16)18-9(6)13-11/h1H,4H2,2H3,(H,15,16)(H,12,13,14)