3-(2-azanylpurin-9-yl)oxypropyl benzoate

Systemtic Name: 3-(2-azanylpurin-9-yl)oxypropyl benzoate Openeye Name: 3-(2-aminopurin-9-yl)oxypropyl benzoate CAS Name: benzoic acid 3-[(2-amino-9-purinyl)oxy]propyl ester IUPAC Name: 3-(2-aminopurin-9-yl)oxypropyl benzoate Traditional Name: benzoic acid 3-(2-aminopurin-9-yl)oxypropyl ester Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCON2C=NC3=CN=C(N=C32)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCON2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C15H15N5O3/c16-15-17-9-12-13(19-15)20(10-18-12)23-8-4-7-22-14(21)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,16,17,19)