4-[[2-azanyl-5-(4-chloranyl-2-fluoranyl-phenyl)sulfanyl-pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-[[2-azanyl-5-(4-chloranyl-2-fluoranyl-phenyl)sulfanyl-pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-amino-5-(4-chloro-2-fluoro-phenyl)sulfanyl-pyrimidin-4-yl]amino]phenol CAS Name: 4-[[2-amino-5-[(4-chloro-2-fluorophenyl)thio]-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[2-amino-5-(4-chloro-2-fluorophenyl)sulfanylpyrimidin-4-yl]amino]phenol Traditional Name: 4-[[2-amino-5-[(4-chloro-2-fluoro-phenyl)thio]pyrimidin-4-yl]amino]phenol Formula: C16H12ClFN4OS MolecularWeight: 362.809083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC=C2SC3=C(C=C(C=C3)Cl)F)N)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2SC3=C(C=C(C=C3)Cl)F)N)O

InChI

InChI=1S/C16H12ClFN4OS/c17-9-1-6-13(12(18)7-9)24-14-8-20-16(19)22-15(14)21-10-2-4-11(23)5-3-10/h1-8,23H,(H3,19,20,21,22)