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

Systemtic Name: 4-[(4-tert-butylphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-tert-butylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-tert-butylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-tert-butylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-tert-butylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H20N3O2S- MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-10-14-16(20-11(2)21-17(14)25-15(10)18(23)24)22-13-8-6-12(7-9-13)19(3,4)5/h6-9H,1-5H3,(H,23,24)(H,20,21,22)/p-1