4-[[2-azanyl-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-[[2-azanyl-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-amino-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]amino]phenol CAS Name: 4-[[2-amino-5-[(4-bromophenyl)thio]-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[2-amino-5-(4-bromophenyl)sulfanylpyrimidin-4-yl]amino]phenol Traditional Name: 4-[[2-amino-5-[(4-bromophenyl)thio]pyrimidin-4-yl]amino]phenol Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4OS/c17-10-1-7-13(8-2-10)23-14-9-19-16(18)21-15(14)20-11-3-5-12(22)6-4-11/h1-9,22H,(H3,18,19,20,21)