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

Systemtic Name: propan-2-yl 4-[(4-tert-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 4-(4-tert-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-tert-butylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-tert-butylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-tert-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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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(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-12(2)26-20(25)17-13(3)16-18(22-11-23-19(16)27-17)24-15-9-7-14(8-10-15)21(4,5)6/h7-12H,1-6H3,(H,22,23,24)