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

Systemtic Name: methyl 2-[[cyclopropyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[cyclopropyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclopropyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-12-17-19(26)22-16(23-20(17)29-18(12)21(27)28-2)11-24(14-8-9-14)10-15(25)13-6-4-3-5-7-13/h3-7,14-15,25H,8-11H2,1-2H3,(H,22,23,26)