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

Systemtic Name: 2,5-dimethyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-isobutoxyanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(2-methylpropoxy)anilino]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-[4-(2-methylpropoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-isobutoxyanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H20N3O3S- MolecularWeight: 370.4454

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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)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-10(2)9-25-14-7-5-13(6-8-14)22-17-15-11(3)16(19(23)24)26-18(15)21-12(4)20-17/h5-8,10H,9H2,1-4H3,(H,23,24)(H,20,21,22)/p-1