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

Systemtic Name: propan-2-yl 2-[[cyclohexyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[cyclohexyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(2-hydroxy-2-phenylethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[cyclohexyl-(2-hydroxy-2-phenylethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-16(2)33-26(32)23-17(3)22-24(31)27-21(28-25(22)34-23)15-29(19-12-8-5-9-13-19)14-20(30)18-10-6-4-7-11-18/h4,6-7,10-11,16,19-20,30H,5,8-9,12-15H2,1-3H3,(H,27,28,31)