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

Systemtic Name: ethyl 2-[(3-iodanylphenyl)carbonyloxymethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(3-iodobenzoyl)oxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(3-iodophenyl)-oxomethoxy]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-iodobenzoyl)oxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(3-iodobenzoyl)oxymethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15IN2O5S MolecularWeight: 498.29157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=CC(=CC=C3)I)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=CC(=CC=C3)I)C

InChI

InChI=1S/C18H15IN2O5S/c1-3-25-18(24)14-9(2)13-15(22)20-12(21-16(13)27-14)8-26-17(23)10-5-4-6-11(19)7-10/h4-7H,3,8H2,1-2H3,(H,20,21,22)