methyl 2-[[2-methoxyethyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[2-methoxyethyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(2-hydroxy-2-phenyl-ethyl)-(2-methoxyethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-(2-methoxyethyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-13-17-19(26)22-16(23-20(17)30-18(13)21(27)29-3)12-24(9-10-28-2)11-15(25)14-7-5-4-6-8-14/h4-8,15,25H,9-12H2,1-3H3,(H,22,23,26)