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

Systemtic Name: 2-methylpropyl 4-[(4-ethanoylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-acetylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-acetylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-acetylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-acetylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-11(2)9-26-20(25)17-12(3)16-18(21-10-22-19(16)27-17)23-15-7-5-14(6-8-15)13(4)24/h5-8,10-11H,9H2,1-4H3,(H,21,22,23)