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

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-cyclopentyloxy-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclopentoxy)-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-cyclopentyloxy-5-ethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-cyclopentyloxy-5-ethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(1,3-benzodioxol-5-yl)-3-(cyclopentoxy)-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)OC4CCCC4)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OC4CCCC4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C25H28N4O4/c1-2-30-21-10-15(9-17-13-28-25(27)29-24(17)26)11-22(33-18-5-3-4-6-18)23(21)16-7-8-19-20(12-16)32-14-31-19/h7-8,10-13,18H,2-6,9,14H2,1H3,(H4,26,27,28,29)