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

Systemtic Name: 1-[4-[(5-bromanyl-4-phenylsulfanyl-pyrimidin-2-yl)amino]phenoxy]-3-(tert-butylamino)propan-2-ol Openeye Name: 1-[4-[(5-bromo-4-phenylsulfanyl-pyrimidin-2-yl)amino]phenoxy]-3-(tert-butylamino)propan-2-ol CAS Name: 1-[4-[[5-bromo-4-(phenylthio)-2-pyrimidinyl]amino]phenoxy]-3-(tert-butylamino)-2-propanol IUPAC Name: 1-[4-[(5-bromo-4-phenylsulfanylpyrimidin-2-yl)amino]phenoxy]-3-(tert-butylamino)propan-2-ol Traditional Name: 1-[4-[[5-bromo-4-(phenylthio)pyrimidin-2-yl]amino]phenoxy]-3-(tert-butylamino)propan-2-ol Formula: C23H27BrN4O2S MolecularWeight: 503.45508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O2S/c1-23(2,3)26-13-17(29)15-30-18-11-9-16(10-12-18)27-22-25-14-20(24)21(28-22)31-19-7-5-4-6-8-19/h4-12,14,17,26,29H,13,15H2,1-3H3,(H,25,27,28)