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

Systemtic Name: 2-methylpropyl 4-[(3-bromanyl-4-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2S/c1-10(2)8-25-19(24)16-12(4)15-17(21-9-22-18(15)26-16)23-13-6-5-11(3)14(20)7-13/h5-7,9-10H,8H2,1-4H3,(H,21,22,23)