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

Systemtic Name: methyl 2-[[cyclohexyl-(2-oxidanyl-3-propan-2-yloxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[cyclohexyl-(2-hydroxy-3-isopropoxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-propan-2-yloxypropyl)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-propan-2-yloxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl-(2-hydroxy-3-isopropoxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC(C)C)O)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC(C)C)O)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H33N3O5S/c1-13(2)30-12-16(26)10-25(15-8-6-5-7-9-15)11-17-23-20(27)18-14(3)19(22(28)29-4)31-21(18)24-17/h13,15-16,26H,5-12H2,1-4H3,(H,23,24,27)