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

Systemtic Name: 2-methylpropyl 4-[(3,5-dimethylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(3,5-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,5-dimethylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3,5-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,5-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-11(2)9-25-20(24)17-14(5)16-18(21-10-22-19(16)26-17)23-15-7-12(3)6-13(4)8-15/h6-8,10-11H,9H2,1-5H3,(H,21,22,23)