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

Systemtic Name: phenethyl 4-[(2,6-dimethylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(2,6-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,6-dimethylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2,6-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2,6-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O2S/c1-15-8-7-9-16(2)20(15)27-22-19-17(3)21(30-23(19)26-14-25-22)24(28)29-13-12-18-10-5-4-6-11-18/h4-11,14H,12-13H2,1-3H3,(H,25,26,27)