5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-6-[4-(oxan-2-yloxymethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-6-[4-(oxan-2-yloxymethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-[(2-bromoanilino)methyl]-2-methylsulfanyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]pyrimidin-4-amine CAS Name: 5-[(2-bromoanilino)methyl]-2-(methylthio)-6-[4-(2-oxanyloxymethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-[(2-bromoanilino)methyl]-2-methylsulfanyl-6-[4-(oxan-2-yloxymethyl)phenyl]pyrimidin-4-amine Traditional Name: [4-amino-2-(methylthio)-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]pyrimidin-5-yl]methyl-(2-bromophenyl)amine Formula: C24H27BrN4O2S MolecularWeight: 515.46578

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N)CNC2=CC=CC=C2Br)C3=CC=C(C=C3)COC4CCCCO4

Isomeric SMILES

CSC1=NC(=C(C(=N1)N)CNC2=CC=CC=C2Br)C3=CC=C(C=C3)COC4CCCCO4

InChI

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