2-[[6-oxidanylidene-2-(2-phenylethanoylamino)-3H-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[6-oxidanylidene-2-(2-phenylethanoylamino)-3H-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[6-oxo-2-[(2-phenylacetyl)amino]-3H-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[6-oxo-2-[(1-oxo-2-phenylethyl)amino]-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[6-oxo-2-[(2-phenylacetyl)amino]-3H-purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[6-keto-2-[(2-phenylacetyl)amino]-3H-purin-9-yl]methoxy]ethyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O5/c1-12(24)28-8-7-27-11-23-10-19-15-16(23)21-18(22-17(15)26)20-14(25)9-13-5-3-2-4-6-13/h2-6,10H,7-9,11H2,1H3,(H2,20,21,22,25,26)