5-methyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-cinnamyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[(E)-cinnamyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC=CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S2/c1-10-12-14(20)18-17(19-15(12)24-13(10)16(21)22)23-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,21,22)(H,18,19,20)/b8-5+