4-methyl-1-[2-(methylamino)ethylamino]-7-oxidanyl-thioxanthen-9-one hydroiodide

Systemtic Name: 4-methyl-1-[2-(methylamino)ethylamino]-7-oxidanyl-thioxanthen-9-one hydroiodide Openeye Name: 7-hydroxy-4-methyl-1-[2-(methylamino)ethylamino]thioxanthen-9-one hydroiodide CAS Name: 7-hydroxy-4-methyl-1-[2-(methylamino)ethylamino]-9-thioxanthenone hydroiodide IUPAC Name: 7-hydroxy-4-methyl-1-[2-(methylamino)ethylamino]thioxanthen-9-one hydroiodide Traditional Name: 7-hydroxy-4-methyl-1-[2-(methylamino)ethylamino]thioxanthen-9-one hydroiodide Formula: C17H19IN2O2S MolecularWeight: 442.31443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCNC)C(=O)C3=C(S2)C=CC(=C3)O.I

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCNC)C(=O)C3=C(S2)C=CC(=C3)O.I

InChI

InChI=1S/C17H18N2O2S.HI/c1-10-3-5-13(19-8-7-18-2)15-16(21)12-9-11(20)4-6-14(12)22-17(10)15;/h3-6,9,18-20H,7-8H2,1-2H3;1H