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

Systemtic Name: prop-2-enyl 2-[[cyclopropyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-3-11-30-23(29)20-14(2)19-21(28)24-18(25-22(19)31-20)13-26(16-9-10-16)12-17(27)15-7-5-4-6-8-15/h3-8,16-17,27H,1,9-13H2,2H3,(H,24,25,28)