2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H9BrN2O3S2 MolecularWeight: 397.26686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CC(=CS3)Br)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=CC(=CS3)Br)C(=O)O

InChI

InChI=1S/C14H9BrN2O3S2/c1-6-10-12(18)16-9(3-2-8-4-7(15)5-21-8)17-13(10)22-11(6)14(19)20/h2-5H,1H3,(H,19,20)(H,16,17,18)/b3-2+