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

Systemtic Name: ethyl 3-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(2-iodoanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(2-iodoanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-iodoanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-iodoanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16IN3O4S MolecularWeight: 497.30681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3I)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3I)C

InChI

InChI=1S/C18H16IN3O4S/c1-3-26-18(25)15-10(2)14-16(27-15)20-9-22(17(14)24)8-13(23)21-12-7-5-4-6-11(12)19/h4-7,9H,3,8H2,1-2H3,(H,21,23)