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

Systemtic Name: 2-methylpropyl 4-[(3,4-diethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3,4-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C)OCC

InChI

InChI=1S/C22H27N3O4S/c1-6-27-16-9-8-15(10-17(16)28-7-2)25-20-18-14(5)19(22(26)29-11-13(3)4)30-21(18)24-12-23-20/h8-10,12-13H,6-7,11H2,1-5H3,(H,23,24,25)