[2-[(2-azanylpurin-9-yl)methoxy]-3-(phenylcarbonyloxy)butyl] benzoate

Systemtic Name: [2-[(2-azanylpurin-9-yl)methoxy]-3-(phenylcarbonyloxy)butyl] benzoate Openeye Name: [2-[(2-aminopurin-9-yl)methoxy]-3-benzoyloxy-butyl] benzoate CAS Name: benzoic acid [2-[(2-amino-9-purinyl)methoxy]-3-benzoyloxybutyl] ester IUPAC Name: [2-[(2-aminopurin-9-yl)methoxy]-3-benzoyloxybutyl] benzoate Traditional Name: benzoic acid [2-[(2-aminopurin-9-yl)methoxy]-3-benzoyloxy-butyl] ester Formula: C24H23N5O5 MolecularWeight: 461.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC(=O)C1=CC=CC=C1)OCN2C=NC3=CN=C(N=C32)N)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(COC(=O)C1=CC=CC=C1)OCN2C=NC3=CN=C(N=C32)N)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O5/c1-16(34-23(31)18-10-6-3-7-11-18)20(13-32-22(30)17-8-4-2-5-9-17)33-15-29-14-27-19-12-26-24(25)28-21(19)29/h2-12,14,16,20H,13,15H2,1H3,(H2,25,26,28)