cyclohexyl 5-methyl-4-oxidanylidene-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-phenacyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-phenacylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H22N2O4S/c1-14-18-20(29-19(14)22(27)28-16-10-6-3-7-11-16)23-13-24(21(18)26)12-17(25)15-8-4-2-5-9-15/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3