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

Systemtic Name: 5-bromanyl-N2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: 3-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]prop-2-ynyl-dimethyl-amine Formula: C21H20BrN5 MolecularWeight: 422.321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5/c1-27(2)14-6-7-16-10-12-18(13-11-16)25-21-23-15-19(22)20(26-21)24-17-8-4-3-5-9-17/h3-5,8-13,15H,14H2,1-2H3,(H2,23,24,25,26)