(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-nitrofuran-2-carboxylate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-nitrofuran-2-carboxylate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic 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 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C14H11N3O6S MolecularWeight: 349.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C14H11N3O6S/c1-6-7(2)24-13-11(6)12(18)15-9(16-13)5-22-14(19)8-3-4-10(23-8)17(20)21/h3-4H,5H2,1-2H3,(H,15,16,18)