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

Systemtic Name: 5-methyl-4-oxidanylidene-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-3-(4-pyridylmethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-pyridylmethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H10N3O3S2- MolecularWeight: 332.3775

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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)/p-1