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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic 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 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c23-17-16-12(5-8-28-16)19-15(20-17)10-27-18(24)11-3-4-13(14(9-11)22(25)26)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7,10H2,(H,19,20,23)