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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-(2-methylpropoxy)benzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-11(2)10-26-16-8-6-15(7-9-16)21(25)27-13(4)18-22-19(24)17-12(3)14(5)28-20(17)23-18/h6-9,11,13H,10H2,1-5H3,(H,22,23,24)