5-methyl-4-oxidanylidene-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-(4-pyridylmethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-3-(4-pyridylmethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3S2/c1-7-9-11(22-10(7)13(19)20)16-14(21)17(12(9)18)6-8-2-4-15-5-3-8/h2-5H,6H2,1H3,(H,16,21)(H,19,20)