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

Systemtic Name: cyclohexyl 4-[(3,4-dimethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(3,4-dimethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dimethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3,4-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dimethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-13-18-20(25-14-9-10-16(27-2)17(11-14)28-3)23-12-24-21(18)30-19(13)22(26)29-15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,23,24,25)