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

Systemtic Name: 9-cyclohexyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine Openeye Name: 9-cyclohexyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: 9-cyclohexyl-N2,N6-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 9-cyclohexyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine Traditional Name: [9-cyclohexyl-2-(p-anisylamino)purin-6-yl]-p-anisyl-amine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCCC4)NCC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCCC4)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H32N6O2/c1-34-22-12-8-19(9-13-22)16-28-25-24-26(33(18-30-24)21-6-4-3-5-7-21)32-27(31-25)29-17-20-10-14-23(35-2)15-11-20/h8-15,18,21H,3-7,16-17H2,1-2H3,(H2,28,29,31,32)