2-methoxyethyl 4-[(4-iodanyl-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 4-[(4-iodanyl-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 4-(4-iodo-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-iodo-2-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(4-iodo-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-iodo-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H18IN3O3S MolecularWeight: 483.32329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCOC)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCOC)C

InChI

InChI=1S/C18H18IN3O3S/c1-10-8-12(19)4-5-13(10)22-16-14-11(2)15(18(23)25-7-6-24-3)26-17(14)21-9-20-16/h4-5,8-9H,6-7H2,1-3H3,(H,20,21,22)