3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]propyl benzoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]propyl benzoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]propyl benzoate CAS Name: benzoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]propyl benzoate Traditional Name: benzoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methoxy]propyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCCCOC(=O)C3=CC=CC=C3)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1COCCCOC(=O)C3=CC=CC=C3)NC(=NC2=O)N

InChI

InChI=1S/C16H19N5O4/c17-16-19-13-12(14(22)20-16)18-9-21(13)10-24-7-4-8-25-15(23)11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2,(H3,17,19,20,22)