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

Systemtic Name: 5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-N-[4-(oxan-2-yloxymethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-[(2-bromoanilino)methyl]-2-methylsulfanyl-N-[4-(tetrahydropyran-2-yloxymethyl)phenyl]pyrimidin-4-amine CAS Name: 5-[(2-bromoanilino)methyl]-2-(methylthio)-N-[4-(2-oxanyloxymethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-[(2-bromoanilino)methyl]-2-methylsulfanyl-N-[4-(oxan-2-yloxymethyl)phenyl]pyrimidin-4-amine Traditional Name: [5-[(2-bromoanilino)methyl]-2-(methylthio)pyrimidin-4-yl]-[4-(tetrahydropyran-2-yloxymethyl)phenyl]amine Formula: C24H27BrN4O2S MolecularWeight: 515.46578

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)COC3CCCCO3)CNC4=CC=CC=C4Br

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)COC3CCCCO3)CNC4=CC=CC=C4Br

InChI

InChI=1S/C24H27BrN4O2S/c1-32-24-27-15-18(14-26-21-7-3-2-6-20(21)25)23(29-24)28-19-11-9-17(10-12-19)16-31-22-8-4-5-13-30-22/h2-3,6-7,9-12,15,22,26H,4-5,8,13-14,16H2,1H3,(H,27,28,29)