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

Systemtic Name: 2-methoxyethyl 4-[(3-bromanyl-4-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 4-(3-bromo-4-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-bromo-4-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(3-bromo-4-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-10-4-5-12(8-13(10)19)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)