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

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-benzyloxy-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-3-ethoxy-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(1,3-benzodioxol-5-yl)-3-benzoxy-5-ethoxy-benzyl]pyrimidin-4-yl]amine Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C27H26N4O4/c1-2-32-23-11-18(10-20-14-30-27(29)31-26(20)28)12-24(33-15-17-6-4-3-5-7-17)25(23)19-8-9-21-22(13-19)35-16-34-21/h3-9,11-14H,2,10,15-16H2,1H3,(H4,28,29,30,31)