(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-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 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H16N4O6S/c23-17-16-13(3-8-29-16)19-15(20-17)10-28-18(24)12-9-11(22(25)26)1-2-14(12)21-4-6-27-7-5-21/h1-3,8-9H,4-7,10H2,(H,19,20,23)