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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(3-propan-2-yloxycarbonylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(3-isopropoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-[oxo(propan-2-yloxy)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(3-propan-2-yloxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-isopropoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-12(2)10-28-22(27)18-14(5)17-19(23-11-24-20(17)30-18)25-16-8-6-7-15(9-16)21(26)29-13(3)4/h6-9,11-13H,10H2,1-5H3,(H,23,24,25)