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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-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-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5S/c1-16-9-3-2-8(6-11(9)19(22)23)15(21)24-7-12-17-10-4-5-25-13(10)14(20)18-12/h2-6,16H,7H2,1H3,(H,17,18,20)