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

Systemtic Name: propan-2-yl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-3-phenoxy-propyl)-isobutyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-phenoxypropyl)-(2-methylpropyl)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-[[(2-hydroxy-3-phenoxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-phenoxy-propyl)-isobutyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c1-15(2)11-28(12-18(29)14-32-19-9-7-6-8-10-19)13-20-26-23(30)21-17(5)22(34-24(21)27-20)25(31)33-16(3)4/h6-10,15-16,18,29H,11-14H2,1-5H3,(H,26,27,30)