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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(2-methylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-(2-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(2-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(o-toluidino)thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

InChI

InChI=1S/C19H21N3O2S/c1-11(2)9-24-19(23)16-13(4)15-17(20-10-21-18(15)25-16)22-14-8-6-5-7-12(14)3/h5-8,10-11H,9H2,1-4H3,(H,20,21,22)