(6-azanyl-8-butyl-purin-3-yl)methyl 2-phenylbenzoate

Systemtic Name: (6-azanyl-8-butyl-purin-3-yl)methyl 2-phenylbenzoate Openeye Name: (6-amino-8-butyl-purin-3-yl)methyl 2-phenylbenzoate CAS Name: 2-phenylbenzoic acid (6-amino-8-butyl-3-purinyl)methyl ester IUPAC Name: (6-amino-8-butylpurin-3-yl)methyl 2-phenylbenzoate Traditional Name: 2-phenylbenzoic acid (6-amino-8-butyl-purin-3-yl)methyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N=CN(C2=N1)COC(=O)C3=CC=CC=C3C4=CC=CC=C4)N

Isomeric SMILES

CCCCC1=NC2=C(N=CN(C2=N1)COC(=O)C3=CC=CC=C3C4=CC=CC=C4)N

InChI

InChI=1S/C23H23N5O2/c1-2-3-13-19-26-20-21(24)25-14-28(22(20)27-19)15-30-23(29)18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,14H,2-3,13,15,24H2,1H3