9-cyclobutyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine

Systemtic Name: 9-cyclobutyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine Openeye Name: 9-cyclobutyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: 9-cyclobutyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine Traditional Name: [9-cyclobutyl-2-(p-anisylamino)purin-6-yl]-p-anisyl-amine Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCC4)NCC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCC4)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C25H28N6O2/c1-32-20-10-6-17(7-11-20)14-26-23-22-24(31(16-28-22)19-4-3-5-19)30-25(29-23)27-15-18-8-12-21(33-2)13-9-18/h6-13,16,19H,3-5,14-15H2,1-2H3,(H2,26,27,29,30)