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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3,4-diethoxybenzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2)OCC

InChI

InChI=1S/C21H24N2O5S/c1-6-26-15-9-8-14(10-16(15)27-7-2)21(25)28-12(4)18-22-19(24)17-11(3)13(5)29-20(17)23-18/h8-10,12H,6-7H2,1-5H3,(H,22,23,24)