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

Systemtic Name: 1-[4-[(5-bromanyl-4-phenylsulfanyl-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[(5-bromo-4-phenylsulfanyl-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[5-bromo-4-(phenylthio)-2-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[(5-bromo-4-phenylsulfanylpyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[5-bromo-4-(phenylthio)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S/c1-26(2)13-16(27)14-28-17-10-8-15(9-11-17)24-21-23-12-19(22)20(25-21)29-18-6-4-3-5-7-18/h3-12,16,27H,13-14H2,1-2H3,(H,23,24,25)