N2,N6-bis[(4-methoxyphenyl)methyl]-7H-purine-2,6-diamine

Systemtic Name: N2,N6-bis[(4-methoxyphenyl)methyl]-7H-purine-2,6-diamine Openeye Name: N2,N6-bis[(4-methoxyphenyl)methyl]-7H-purine-2,6-diamine CAS Name: N2,N6-bis[(4-methoxyphenyl)methyl]-7H-purine-2,6-diamine IUPAC Name: 2-N,6-N-bis[(4-methoxyphenyl)methyl]-7H-purine-2,6-diamine Traditional Name: p-anisyl-[2-(p-anisylamino)-7H-purin-6-yl]amine Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2NC=N3)NCC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2NC=N3)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N6O2/c1-28-16-7-3-14(4-8-16)11-22-19-18-20(25-13-24-18)27-21(26-19)23-12-15-5-9-17(29-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H3,22,23,24,25,26,27)