[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H14IN3O4S MolecularWeight: 483.28023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H14IN3O4S/c1-8-13-15(23)19-9(2)20-16(13)26-14(8)17(24)25-7-12(22)21-11-5-3-4-10(18)6-11/h3-6H,7H2,1-2H3,(H,21,22)(H,19,20,23)