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

Systemtic Name: propan-2-yl 5-methyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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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)OC(C)C

Isomeric SMILES

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

InChI

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