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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OC(C3CCC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OC(C3CCC3)C4=CC5=C(C=C4)OCO5

InChI

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