(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c1-19(2)11-4-3-9(7-12(11)20(23)24)16(22)25-8-13-17-10-5-6-26-14(10)15(21)18-13/h3-7H,8H2,1-2H3,(H,17,18,21)