[2-[[(9-phenylmethoxypurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate

Systemtic Name: [2-[[(9-phenylmethoxypurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate Openeye Name: [2-[[(9-benzyloxypurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-[[(9-phenylmethoxy-2-purinyl)amino]methyl]cyclohexyl]methyl ester IUPAC Name: [2-[[(9-phenylmethoxypurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-[[(9-benzoxypurin-2-yl)amino]methyl]cyclohexyl]methyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CNC2=NC=C3C(=N2)N(C=N3)OCC4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)CNC2=NC=C3C(=N2)N(C=N3)OCC4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c33-26(21-11-5-2-6-12-21)34-18-23-14-8-7-13-22(23)15-28-27-29-16-24-25(31-27)32(19-30-24)35-17-20-9-3-1-4-10-20/h1-6,9-12,16,19,22-23H,7-8,13-15,17-18H2,(H,28,29,31)