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

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-(2-methylprop-2-enoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-(2-methylallyloxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-(2-methylprop-2-enoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-(2-methylprop-2-enoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-(2-methylallyloxy)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)OCC(=C)C)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC(=C)C)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C24H26N4O4/c1-4-29-20-8-15(7-17-11-27-24(26)28-23(17)25)9-21(30-12-14(2)3)22(20)16-5-6-18-19(10-16)32-13-31-18/h5-6,8-11H,2,4,7,12-13H2,1,3H3,(H4,25,26,27,28)