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

Systemtic Name: phenethyl 5-methyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-(methylthio)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[3-(methylthio)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)SC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)SC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S2/c1-15-19-21(26-17-9-6-10-18(13-17)29-2)24-14-25-22(19)30-20(15)23(27)28-12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,24,25,26)