5-[[3,4-dimethoxy-5-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,4-dimethoxy-5-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,4-dimethoxy-5-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(2-phenylethynyl)benzyl]pyrimidin-4-yl]amine Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C#CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C#CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N4O2/c1-26-18-12-15(11-17-13-24-21(23)25-20(17)22)10-16(19(18)27-2)9-8-14-6-4-3-5-7-14/h3-7,10,12-13H,11H2,1-2H3,(H4,22,23,24,25)