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

Systemtic Name: phenethyl 5-methyl-4-[(2-methylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(2-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(2-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(o-toluidino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O2S/c1-15-8-6-7-11-18(15)26-21-19-16(2)20(29-22(19)25-14-24-21)23(27)28-13-12-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H,24,25,26)