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

Systemtic Name: 5-ethoxy-4-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholin-4-yl-benzenesulfinate Openeye Name: 5-ethoxy-4-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholino-benzenesulfinate CAS Name: 5-ethoxy-4-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-(4-morpholinyl)benzenesulfinate IUPAC Name: 5-ethoxy-4-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholin-4-ylbenzenesulfinate Traditional Name: 5-ethoxy-4-(4-keto-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-morpholino-benzenesulfinate Formula: C22H27N4O5S- MolecularWeight: 459.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1NC(=NC2=O)C3=CC(=C(C=C3OCC)S(=O)[O-])N4CCOCC4)C

Isomeric SMILES

CCCN1C=C(C2=C1NC(=NC2=O)C3=CC(=C(C=C3OCC)S(=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C22H28N4O5S/c1-4-6-26-13-14(3)19-21(26)23-20(24-22(19)27)15-11-16(25-7-9-30-10-8-25)18(32(28)29)12-17(15)31-5-2/h11-13H,4-10H2,1-3H3,(H,28,29)(H,23,24,27)/p-1