2-[1-(6-aminopurin-9-yl)prop-2-enoxy]ethyl benzoate

Systemtic Name: 2-[1-(6-aminopurin-9-yl)prop-2-enoxy]ethyl benzoate Openeye Name: 2-[1-(6-aminopurin-9-yl)allyloxy]ethyl benzoate CAS Name: benzoic acid 2-[1-(6-aminopurin-9-yl)prop-2-enoxy]ethyl ester IUPAC Name: 2-[1-(6-aminopurin-9-yl)prop-2-enoxy]ethyl benzoate Traditional Name: benzoic acid 2-(1-adenin-9-ylallyloxy)ethyl ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(N1C=NC2=C1N=CN=C2N)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CC(N1C=NC2=C1N=CN=C2N)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O3/c1-2-13(22-11-21-14-15(18)19-10-20-16(14)22)24-8-9-25-17(23)12-6-4-3-5-7-12/h2-7,10-11,13H,1,8-9H2,(H2,18,19,20)