[2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]cyclohexyl]methyl benzoate

Systemtic Name: [2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]cyclohexyl]methyl benzoate Openeye Name: [2-[(2-amino-6-benzyloxy-purin-9-yl)methyl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-6-phenylmethoxy-9-purinyl)methyl]cyclohexyl]methyl ester IUPAC Name: [2-[(2-amino-6-phenylmethoxypurin-9-yl)methyl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-amino-6-benzoxy-purin-9-yl)methyl]cyclohexyl]methyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c28-27-30-24-23(25(31-27)34-16-19-9-3-1-4-10-19)29-18-32(24)15-21-13-7-8-14-22(21)17-35-26(33)20-11-5-2-6-12-20/h1-6,9-12,18,21-22H,7-8,13-17H2,(H2,28,30,31)