5-[[3,5-dimethoxy-4-(7-methoxyheptoxy)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine

Systemtic Name: 5-[[3,5-dimethoxy-4-(7-methoxyheptoxy)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine Openeye Name: 5-[[3,5-dimethoxy-4-(7-methoxyheptoxy)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine CAS Name: 5-[[3,5-dimethoxy-4-(7-methoxyheptoxy)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine IUPAC Name: 5-[[3,5-dimethoxy-4-(7-methoxyheptoxy)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine Traditional Name: [2-amino-5-[3,5-dimethoxy-4-(7-methoxyheptoxy)benzyl]-4,5-dihydropyrimidin-6-yl]amine Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCOC1=C(C=C(C=C1OC)CC2CN=C(N=C2N)N)OC

Isomeric SMILES

COCCCCCCCOC1=C(C=C(C=C1OC)CC2CN=C(N=C2N)N)OC

InChI

InChI=1S/C21H34N4O4/c1-26-9-7-5-4-6-8-10-29-19-17(27-2)12-15(13-18(19)28-3)11-16-14-24-21(23)25-20(16)22/h12-13,16H,4-11,14H2,1-3H3,(H4,22,23,24,25)