5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-N-[3-[2-(oxan-2-yloxy)ethyl]phenyl]pyrimidin-4-amine

Systemtic Name: 5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-N-[3-[2-(oxan-2-yloxy)ethyl]phenyl]pyrimidin-4-amine Openeye Name: 5-[(2-bromoanilino)methyl]-2-methylsulfanyl-N-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]pyrimidin-4-amine CAS Name: 5-[(2-bromoanilino)methyl]-2-(methylthio)-N-[3-[2-(2-oxanyloxy)ethyl]phenyl]-4-pyrimidinamine IUPAC Name: 5-[(2-bromoanilino)methyl]-2-methylsulfanyl-N-[3-[2-(oxan-2-yloxy)ethyl]phenyl]pyrimidin-4-amine Traditional Name: [5-[(2-bromoanilino)methyl]-2-(methylthio)pyrimidin-4-yl]-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]amine Formula: C25H29BrN4O2S MolecularWeight: 529.49236

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=CC(=C2)CCOC3CCCCO3)CNC4=CC=CC=C4Br

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=CC(=C2)CCOC3CCCCO3)CNC4=CC=CC=C4Br

InChI

InChI=1S/C25H29BrN4O2S/c1-33-25-28-17-19(16-27-22-10-3-2-9-21(22)26)24(30-25)29-20-8-6-7-18(15-20)12-14-32-23-11-4-5-13-31-23/h2-3,6-10,15,17,23,27H,4-5,11-14,16H2,1H3,(H,28,29,30)