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

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-cyclobutyloxy-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-(cyclobutoxy)-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-cyclobutyloxy-5-ethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-cyclobutyloxy-5-ethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(1,3-benzodioxol-5-yl)-3-(cyclobutoxy)-5-ethoxy-benzyl]pyrimidin-4-yl]amine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OC4CCC4)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OC4CCC4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C24H26N4O4/c1-2-29-20-9-14(8-16-12-27-24(26)28-23(16)25)10-21(32-17-4-3-5-17)22(20)15-6-7-18-19(11-15)31-13-30-18/h6-7,9-12,17H,2-5,8,13H2,1H3,(H4,25,26,27,28)