5-methyl-4-oxidanylidene-2-prop-2-enylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-2-prop-2-enylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-allylsulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(prop-2-enylthio)-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2-prop-2-enylsulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(allylthio)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C11H9N2O3S2- MolecularWeight: 281.33076

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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/C11H10N2O3S2/c1-3-4-17-11-12-8(14)6-5(2)7(10(15)16)18-9(6)13-11/h3H,1,4H2,2H3,(H,15,16)(H,12,13,14)/p-1