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

Systemtic Name: 5-[[3-(4-butoxyphenyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(4-butoxyphenyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(4-butoxyphenyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(4-butoxyphenyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(4-butoxyphenyl)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=CC(=C2OC)OC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=CC(=C2OC)OC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C23H28N4O3/c1-4-5-10-30-18-8-6-16(7-9-18)19-12-15(13-20(28-2)21(19)29-3)11-17-14-26-23(25)27-22(17)24/h6-9,12-14H,4-5,10-11H2,1-3H3,(H4,24,25,26,27)