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

Systemtic Name: methyl 2-[[cyclopropyl-(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[cyclopropyl-(2-hydroxy-3-phenoxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclopropyl-(2-hydroxy-3-phenoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-(2-hydroxy-3-phenoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclopropyl-(2-hydroxy-3-phenoxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC3=CC=CC=C3)O)C4CC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(COC3=CC=CC=C3)O)C4CC4)C(=O)OC

InChI

InChI=1S/C22H25N3O5S/c1-13-18-20(27)23-17(24-21(18)31-19(13)22(28)29-2)11-25(14-8-9-14)10-15(26)12-30-16-6-4-3-5-7-16/h3-7,14-15,26H,8-12H2,1-2H3,(H,23,24,27)