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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(2-propoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-propoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

Isomeric SMILES

CCCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-10-26-16-9-7-6-8-15(16)24-19-17-14(4)18(21(25)27-11-13(2)3)28-20(17)23-12-22-19/h6-9,12-13H,5,10-11H2,1-4H3,(H,22,23,24)