4-[4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-2,6-dimethyl-morpholin-4-ium-4-sulfinate

Systemtic Name: 4-[4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-2,6-dimethyl-morpholin-4-ium-4-sulfinate Openeye Name: 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-2,6-dimethyl-morpholin-4-ium-4-sulfinate CAS Name: 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-2,6-dimethyl-4-morpholin-4-iumsulfinate IUPAC Name: 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-2,6-dimethylmorpholin-4-ium-4-sulfinate Traditional Name: 4-[4-ethoxy-3-(4-keto-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-2,6-dimethyl-morpholin-4-ium-4-sulfinate Formula: C24H32N4O5S MolecularWeight: 488.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)[N+]4(CC(OC(C4)C)C)S(=O)[O-])OCC)C

Isomeric SMILES

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)[N+]4(CC(OC(C4)C)C)S(=O)[O-])OCC)C

InChI

InChI=1S/C24H32N4O5S/c1-6-10-27-12-15(3)21-23(27)25-22(26-24(21)29)19-11-18(8-9-20(19)32-7-2)28(34(30)31)13-16(4)33-17(5)14-28/h8-9,11-12,16-17H,6-7,10,13-14H2,1-5H3,(H-,25,26,29,30,31)