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

Systemtic Name: 9-cyclopentyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine Openeye Name: 9-cyclopentyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: 9-cyclopentyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 9-cyclopentyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine Traditional Name: [9-cyclopentyl-2-(p-anisylamino)purin-6-yl]-p-anisyl-amine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NCC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H30N6O2/c1-33-21-11-7-18(8-12-21)15-27-24-23-25(32(17-29-23)20-5-3-4-6-20)31-26(30-24)28-16-19-9-13-22(34-2)14-10-19/h7-14,17,20H,3-6,15-16H2,1-2H3,(H2,27,28,30,31)