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

Systemtic Name: [2-[[2-azanyl-6-(phenylcarbonyl)purin-9-yl]methyl]cyclobutyl]methyl benzoate Openeye Name: [2-[(2-amino-6-benzoyl-purin-9-yl)methyl]cyclobutyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-6-benzoyl-9-purinyl)methyl]cyclobutyl]methyl ester IUPAC Name: [2-[(2-amino-6-benzoylpurin-9-yl)methyl]cyclobutyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-amino-6-benzoyl-purin-9-yl)methyl]cyclobutyl]methyl ester Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1CN2C=NC3=C(N=C(N=C32)N)C(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(C1CN2C=NC3=C(N=C(N=C32)N)C(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c26-25-28-20(22(31)16-7-3-1-4-8-16)21-23(29-25)30(15-27-21)13-18-11-12-19(18)14-33-24(32)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2,(H2,26,28,29)