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

Systemtic Name: propan-2-yl 5-methyl-2-[[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-methylamino]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-2-phenylethyl)-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-12(2)28-21(27)18-13(3)17-19(26)22-16(23-20(17)29-18)11-24(4)10-15(25)14-8-6-5-7-9-14/h5-9,12,15,25H,10-11H2,1-4H3,(H,22,23,26)