5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclobutylmethoxy)-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclobutylmethoxy)-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclobutylmethoxy)-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclobutylmethoxy)-5-ethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclobutylmethoxy)-5-ethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(1,3-benzodioxol-5-yl)-3-(cyclobutylmethoxy)-5-ethoxy-benzyl]pyrimidin-4-yl]amine Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC4CCC4)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC4CCC4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C25H28N4O4/c1-2-30-21-9-16(8-18-12-28-25(27)29-24(18)26)10-22(31-13-15-4-3-5-15)23(21)17-6-7-19-20(11-17)33-14-32-19/h6-7,9-12,15H,2-5,8,13-14H2,1H3,(H4,26,27,28,29)