[3-(2-azanyl-6-phenylmethoxy-purin-9-yl)cyclobutyl]methyl benzoate

Systemtic Name: [3-(2-azanyl-6-phenylmethoxy-purin-9-yl)cyclobutyl]methyl benzoate Openeye Name: [3-(2-amino-6-benzyloxy-purin-9-yl)cyclobutyl]methyl benzoate CAS Name: benzoic acid [3-(2-amino-6-phenylmethoxy-9-purinyl)cyclobutyl]methyl ester IUPAC Name: [3-(2-amino-6-phenylmethoxypurin-9-yl)cyclobutyl]methyl benzoate Traditional Name: benzoic acid [3-(2-amino-6-benzoxy-purin-9-yl)cyclobutyl]methyl ester Formula: C24H23N5O3 MolecularWeight: 429.47112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(CC1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3/c25-24-27-21-20(22(28-24)31-13-16-7-3-1-4-8-16)26-15-29(21)19-11-17(12-19)14-32-23(30)18-9-5-2-6-10-18/h1-10,15,17,19H,11-14H2,(H2,25,27,28)