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

Systemtic Name: cyclohexyl 5-methyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)SC)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)SC)C(=O)OC4CCCCC4

InChI

InChI=1S/C21H23N3O2S2/c1-13-17-19(24-14-7-6-10-16(11-14)27-2)22-12-23-20(17)28-18(13)21(25)26-15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,22,23,24)