6-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]-s-triazin-2-yl]amine Formula: C19H18FN5O2S MolecularWeight: 399.441923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSCC4=NC(=NC(=N4)N)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSCC4=NC(=NC(=N4)N)N)F

InChI

InChI=1S/C19H18FN5O2S/c20-14-6-12-8-26-17(11-4-2-1-3-5-11)27-16(12)13(7-14)9-28-10-15-23-18(21)25-19(22)24-15/h1-7,17H,8-10H2,(H4,21,22,23,24,25)/t17-/m0/s1