5-bromanyl-N2-[4-[3-(methylamino)prop-1-ynyl]phenyl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-[4-[3-(methylamino)prop-1-ynyl]phenyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-[3-(methylamino)prop-1-ynyl]phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-[3-(methylamino)prop-1-ynyl]phenyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-[3-(methylamino)prop-1-ynyl]phenyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-[4-[3-(methylamino)prop-1-ynyl]phenyl]amine Formula: C20H18BrN5 MolecularWeight: 408.29442

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Descriptors Computed from Structure

Canonical SMILES:

CNCC#CC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CNCC#CC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C20H18BrN5/c1-22-13-5-6-15-9-11-17(12-10-15)25-20-23-14-18(21)19(26-20)24-16-7-3-2-4-8-16/h2-4,7-12,14,22H,13H2,1H3,(H2,23,24,25,26)