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

Systemtic Name: 1-[4-[(5-bromanyl-4-phenylsulfanyl-pyrimidin-2-yl)amino]phenoxy]-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-[4-[(5-bromo-4-phenylsulfanyl-pyrimidin-2-yl)amino]phenoxy]-3-(isopropylamino)propan-2-ol CAS Name: 1-[4-[[5-bromo-4-(phenylthio)-2-pyrimidinyl]amino]phenoxy]-3-(propan-2-ylamino)-2-propanol IUPAC Name: 1-[4-[(5-bromo-4-phenylsulfanylpyrimidin-2-yl)amino]phenoxy]-3-(propan-2-ylamino)propan-2-ol Traditional Name: 1-[4-[[5-bromo-4-(phenylthio)pyrimidin-2-yl]amino]phenoxy]-3-(isopropylamino)propan-2-ol Formula: C22H25BrN4O2S MolecularWeight: 489.4285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)SC3=CC=CC=C3)Br)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)SC3=CC=CC=C3)Br)O

InChI

InChI=1S/C22H25BrN4O2S/c1-15(2)24-12-17(28)14-29-18-10-8-16(9-11-18)26-22-25-13-20(23)21(27-22)30-19-6-4-3-5-7-19/h3-11,13,15,17,24,28H,12,14H2,1-2H3,(H,25,26,27)