methyl 2-[[cyclohexyl-(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[cyclohexyl-(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[cyclohexyl-(2-hydroxy-3-phenoxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-phenoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-(2-hydroxy-3-phenoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl-(2-hydroxy-3-phenoxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC3=CC=CC=C3)O)C4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC3=CC=CC=C3)O)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C25H31N3O5S/c1-16-21-23(30)26-20(27-24(21)34-22(16)25(31)32-2)14-28(17-9-5-3-6-10-17)13-18(29)15-33-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,29H,3,5-6,9-10,13-15H2,1-2H3,(H,26,27,30)