5-bromanyl-4-phenylsulfanyl-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidin-2-amine

Systemtic Name: 5-bromanyl-4-phenylsulfanyl-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidin-2-amine Openeye Name: 5-bromo-N-[4-[3-(isopropylamino)propoxy]phenyl]-4-phenylsulfanyl-pyrimidin-2-amine CAS Name: 5-bromo-4-(phenylthio)-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]-2-pyrimidinamine IUPAC Name: 5-bromo-4-phenylsulfanyl-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidin-2-amine Traditional Name: [5-bromo-4-(phenylthio)pyrimidin-2-yl]-[4-[3-(isopropylamino)propoxy]phenyl]amine Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)SC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)NCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)SC3=CC=CC=C3)Br

InChI

InChI=1S/C22H25BrN4OS/c1-16(2)24-13-6-14-28-18-11-9-17(10-12-18)26-22-25-15-20(23)21(27-22)29-19-7-4-3-5-8-19/h3-5,7-12,15-16,24H,6,13-14H2,1-2H3,(H,25,26,27)