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

Systemtic Name: 1-[4-[[5-bromanyl-4-(pyridin-2-ylamino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[5-bromo-4-(2-pyridylamino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[5-bromo-4-(2-pyridinylamino)-2-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[5-bromo-4-(pyridin-2-ylamino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[5-bromo-4-(2-pyridylamino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C20H23BrN6O2 MolecularWeight: 459.33962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=N3)Br)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=N3)Br)O

InChI

InChI=1S/C20H23BrN6O2/c1-27(2)12-15(28)13-29-16-8-6-14(7-9-16)24-20-23-11-17(21)19(26-20)25-18-5-3-4-10-22-18/h3-11,15,28H,12-13H2,1-2H3,(H2,22,23,24,25,26)