(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(2-oxidanylidenepiperidin-1-yl)benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(2-oxidanylidenepiperidin-1-yl)benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(2-oxo-1-piperidyl)benzoate CAS Name: 4-(2-oxo-1-piperidinyl)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 4-(2-oxopiperidin-1-yl)benzoate Traditional Name: 4-(2-ketopiperidino)benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(C=C3)N4CCCCC4=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(C=C3)N4CCCCC4=O)C

InChI

InChI=1S/C21H21N3O4S/c1-12-13(2)29-20-18(12)19(26)22-16(23-20)11-28-21(27)14-6-8-15(9-7-14)24-10-4-3-5-17(24)25/h6-9H,3-5,10-11H2,1-2H3,(H,22,23,26)