2-[(3-bromophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(3-bromophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(3-bromophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(3-bromophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(3-bromophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(3-bromobenzyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H11BrN2O3S MolecularWeight: 379.22844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O3S/c1-7-11-13(19)17-10(6-8-3-2-4-9(16)5-8)18-14(11)22-12(7)15(20)21/h2-5H,6H2,1H3,(H,20,21)(H,17,18,19)