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

Systemtic Name: 5-[3-(3-bromanyl-5-methoxy-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-(3-bromo-5-methoxy-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-(3-bromo-5-methoxyphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-(3-bromo-5-methoxyphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(3-bromo-5-methoxy-phenyl)but-1-ynyl]-6-methyl-pyrimidin-4-yl]amine Formula: C16H17BrN4O MolecularWeight: 361.23638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O/c1-9(11-6-12(17)8-13(7-11)22-3)4-5-14-10(2)20-16(19)21-15(14)18/h6-9H,1-3H3,(H4,18,19,20,21)