ethyl 2-[1-[(4-iodophenyl)amino]ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[1-[(4-iodophenyl)amino]ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[1-(4-iodoanilino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[1-(4-iodoanilino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-iodoanilino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[1-(4-iodoanilino)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18IN3O3S MolecularWeight: 483.32329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)NC3=CC=C(C=C3)I)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)NC3=CC=C(C=C3)I)C

InChI

InChI=1S/C18H18IN3O3S/c1-4-25-18(24)14-9(2)13-16(23)21-15(22-17(13)26-14)10(3)20-12-7-5-11(19)6-8-12/h5-8,10,20H,4H2,1-3H3,(H,21,22,23)