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

Systemtic Name: 5-bromanyl-N-[4-[3-(tert-butylamino)propoxy]phenyl]-4-phenylsulfanyl-pyrimidin-2-amine Openeye Name: 5-bromo-N-[4-[3-(tert-butylamino)propoxy]phenyl]-4-phenylsulfanyl-pyrimidin-2-amine CAS Name: 5-bromo-N-[4-[3-(tert-butylamino)propoxy]phenyl]-4-(phenylthio)-2-pyrimidinamine IUPAC Name: 5-bromo-N-[4-[3-(tert-butylamino)propoxy]phenyl]-4-phenylsulfanylpyrimidin-2-amine Traditional Name: [5-bromo-4-(phenylthio)pyrimidin-2-yl]-[4-[3-(tert-butylamino)propoxy]phenyl]amine Formula: C23H27BrN4OS MolecularWeight: 487.45568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4OS/c1-23(2,3)26-14-7-15-29-18-12-10-17(11-13-18)27-22-25-16-20(24)21(28-22)30-19-8-5-4-6-9-19/h4-6,8-13,16,26H,7,14-15H2,1-3H3,(H,25,27,28)