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

Systemtic Name: [2-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]cyclobutyl]methyl benzoate Openeye Name: [2-[(2-amino-6-benzyloxy-purin-9-yl)methyl]cyclobutyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-6-phenylmethoxy-9-purinyl)methyl]cyclobutyl]methyl ester IUPAC Name: [2-[(2-amino-6-phenylmethoxypurin-9-yl)methyl]cyclobutyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-amino-6-benzoxy-purin-9-yl)methyl]cyclobutyl]methyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(C1CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c26-25-28-22-21(23(29-25)32-14-17-7-3-1-4-8-17)27-16-30(22)13-19-11-12-20(19)15-33-24(31)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H2,26,28,29)