5-bromanyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-[4-(4-methylpiperazino)phenyl]amine Formula: C21H23BrN6 MolecularWeight: 439.35152

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C21H23BrN6/c1-27-11-13-28(14-12-27)18-9-7-17(8-10-18)25-21-23-15-19(22)20(26-21)24-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,23,24,25,26)