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

Systemtic Name: cyclohexyl 5-methyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(2-hydroxy-5-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxy-5-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(2-hydroxy-5-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxy-5-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C21H23N3O3S/c1-12-8-9-16(25)15(10-12)24-19-17-13(2)18(28-20(17)23-11-22-19)21(26)27-14-6-4-3-5-7-14/h8-11,14,25H,3-7H2,1-2H3,(H,22,23,24)