5-[3-(2,5-dimethoxy-3-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-(2,5-dimethoxy-3-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-(2,5-dimethoxy-3-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-(2,5-dimethoxy-3-phenylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-(2,5-dimethoxy-3-phenylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(2,5-dimethoxy-3-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidin-4-yl]amine Formula: C23H24N4O2 MolecularWeight: 388.46226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C#CC(C)C2=C(C(=CC(=C2)OC)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#CC(C)C2=C(C(=CC(=C2)OC)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H24N4O2/c1-14(10-11-18-15(2)26-23(25)27-22(18)24)19-12-17(28-3)13-20(21(19)29-4)16-8-6-5-7-9-16/h5-9,12-14H,1-4H3,(H4,24,25,26,27)