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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(4-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-isopropylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-propan-2-ylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-cumidino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl 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(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-12(2)10-26-21(25)18-14(5)17-19(22-11-23-20(17)27-18)24-16-8-6-15(7-9-16)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,22,23,24)