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

Systemtic Name: methyl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-propan-2-yloxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(2-hydroxy-3-isopropoxy-propyl)-isobutyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-isopropoxy-propyl)-isobutyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-11(2)7-23(8-14(24)10-28-12(3)4)9-15-21-18(25)16-13(5)17(20(26)27-6)29-19(16)22-15/h11-12,14,24H,7-10H2,1-6H3,(H,21,22,25)