5-ethoxy-4-(5-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholin-4-yl-benzenesulfinate

Systemtic Name: 5-ethoxy-4-(5-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholin-4-yl-benzenesulfinate Openeye Name: 5-ethoxy-4-(5-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholino-benzenesulfinate CAS Name: 5-ethoxy-4-(5-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)-2-(4-morpholinyl)benzenesulfinate IUPAC Name: 5-ethoxy-4-(5-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholin-4-ylbenzenesulfinate Traditional Name: 5-ethoxy-4-(4-keto-5-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholino-benzenesulfinate Formula: C19H21N4O5S- MolecularWeight: 417.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2=NC(=O)C3=C(N2)NC=C3C)N4CCOCC4)S(=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1C2=NC(=O)C3=C(N2)NC=C3C)N4CCOCC4)S(=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-3-28-14-9-15(29(25)26)13(23-4-6-27-7-5-23)8-12(14)17-21-18-16(19(24)22-17)11(2)10-20-18/h8-10H,3-7H2,1-2H3,(H,25,26)(H2,20,21,22,24)/p-1