1-[4-[[4-(benzimidazol-1-yl)-5-bromanyl-pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[[4-(benzimidazol-1-yl)-5-bromanyl-pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[4-(benzimidazol-1-yl)-5-bromo-pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[4-(1-benzimidazolyl)-5-bromo-2-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[4-(benzimidazol-1-yl)-5-bromopyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[4-(benzimidazol-1-yl)-5-bromo-pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C22H23BrN6O2 MolecularWeight: 483.36102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)N3C=NC4=CC=CC=C43)Br)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)N3C=NC4=CC=CC=C43)Br)O

InChI

InChI=1S/C22H23BrN6O2/c1-28(2)12-16(30)13-31-17-9-7-15(8-10-17)26-22-24-11-18(23)21(27-22)29-14-25-19-5-3-4-6-20(19)29/h3-11,14,16,30H,12-13H2,1-2H3,(H,24,26,27)