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

Systemtic Name: prop-2-enyl 2-[[cyclohexyl-(2-oxidanyl-3-phenyl-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[cyclohexyl-(2-hydroxy-3-phenyl-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl-(2-hydroxy-3-phenylpropyl)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-[[cyclohexyl-(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl-(2-hydroxy-3-phenyl-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(CC3=CC=CC=C3)O)C4CCCCC4)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(CC3=CC=CC=C3)O)C4CCCCC4)C(=O)OCC=C

InChI

InChI=1S/C27H33N3O4S/c1-3-14-34-27(33)24-18(2)23-25(32)28-22(29-26(23)35-24)17-30(20-12-8-5-9-13-20)16-21(31)15-19-10-6-4-7-11-19/h3-4,6-7,10-11,20-21,31H,1,5,8-9,12-17H2,2H3,(H,28,29,32)