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

Systemtic Name: 1-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol CAS Name: 1-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol IUPAC Name: 1-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]-3-(4-methylpiperazino)propan-2-ol Formula: C24H29BrN6O2 MolecularWeight: 513.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br)O

InChI

InChI=1S/C24H29BrN6O2/c1-30-11-13-31(14-12-30)16-20(32)17-33-21-9-7-19(8-10-21)28-24-26-15-22(25)23(29-24)27-18-5-3-2-4-6-18/h2-10,15,20,32H,11-14,16-17H2,1H3,(H2,26,27,28,29)