N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[9-isopropyl-6-(p-anisylamino)purin-2-yl]amine Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N6O3/c1-15(2)30-14-26-21-22(25-13-16-4-7-18(31-3)8-5-16)28-24(29-23(21)30)27-17-6-9-19-20(12-17)33-11-10-32-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H2,25,27,28,29)