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

Systemtic Name: 2-methylpropyl 5-methyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-isobutoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-methylpropoxy)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-[4-(2-methylpropoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-isobutoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC(C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H27N3O3S/c1-13(2)10-27-17-8-6-16(7-9-17)25-20-18-15(5)19(22(26)28-11-14(3)4)29-21(18)24-12-23-20/h6-9,12-14H,10-11H2,1-5H3,(H,23,24,25)