4-[2,6-bis[(4-methoxyphenyl)methylamino]purin-9-yl]cyclohexan-1-ol

Systemtic Name: 4-[2,6-bis[(4-methoxyphenyl)methylamino]purin-9-yl]cyclohexan-1-ol Openeye Name: 4-[2,6-bis[(4-methoxyphenyl)methylamino]purin-9-yl]cyclohexanol CAS Name: 4-[2,6-bis[(4-methoxyphenyl)methylamino]-9-purinyl]-1-cyclohexanol IUPAC Name: 4-[2,6-bis[(4-methoxyphenyl)methylamino]purin-9-yl]cyclohexan-1-ol Traditional Name: 4-[2,6-bis(p-anisylamino)purin-9-yl]cyclohexanol Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCC(CC4)O)NCC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCC(CC4)O)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H32N6O3/c1-35-22-11-3-18(4-12-22)15-28-25-24-26(33(17-30-24)20-7-9-21(34)10-8-20)32-27(31-25)29-16-19-5-13-23(36-2)14-6-19/h3-6,11-14,17,20-21,34H,7-10,15-16H2,1-2H3,(H2,28,29,31,32)