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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-3-phenoxy-propyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-3-phenoxy-propyl)-isopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-phenoxypropyl)-propan-2-ylamino]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)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-phenoxy-propyl)-isopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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)C(C)C)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-14(2)27(11-17(28)13-31-18-9-7-6-8-10-18)12-19-25-22(29)20-16(5)21(33-23(20)26-19)24(30)32-15(3)4/h6-10,14-15,17,28H,11-13H2,1-5H3,(H,25,26,29)