5-[(3,5-dimethoxy-4-octoxy-phenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine

Systemtic Name: 5-[(3,5-dimethoxy-4-octoxy-phenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine Openeye Name: 5-[(3,5-dimethoxy-4-octoxy-phenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine CAS Name: 5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine IUPAC Name: 5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine Traditional Name: [2-amino-5-(3,5-dimethoxy-4-octoxy-benzyl)-4,5-dihydropyrimidin-6-yl]amine Formula: C21H34N4O3 MolecularWeight: 390.51966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1OC)CC2CN=C(N=C2N)N)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1OC)CC2CN=C(N=C2N)N)OC

InChI

InChI=1S/C21H34N4O3/c1-4-5-6-7-8-9-10-28-19-17(26-2)12-15(13-18(19)27-3)11-16-14-24-21(23)25-20(16)22/h12-13,16H,4-11,14H2,1-3H3,(H4,22,23,24,25)