2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-6-fluoranyl-phenol

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-6-fluoranyl-phenol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-6-fluoro-phenol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-6-fluorophenol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-6-fluorophenol Traditional Name: 2-fluoro-6-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]phenol Formula: C24H25FN2O2S MolecularWeight: 424.530903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C(=CC=C4)F)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C(=CC=C4)F)O)C

InChI

InChI=1S/C24H25FN2O2S/c1-16-11-12-22-23(17(16)2)27(20-9-3-4-10-21(20)30(22)29)14-6-13-26-15-18-7-5-8-19(25)24(18)28/h3-5,7-12,26,28H,6,13-15H2,1-2H3