(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H20ClN3O6S2 MolecularWeight: 497.9723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C

InChI

InChI=1S/C20H20ClN3O6S2/c1-11-12(2)31-19-17(11)18(25)22-16(23-19)10-30-20(26)14-9-13(3-4-15(14)21)32(27,28)24-5-7-29-8-6-24/h3-4,9H,5-8,10H2,1-2H3,(H,22,23,25)