[(9-ethanoyl-6-oxidanylidene-3H-purin-2-yl)amino] 5-phenylpentanoate

Systemtic Name: [(9-ethanoyl-6-oxidanylidene-3H-purin-2-yl)amino] 5-phenylpentanoate Openeye Name: [(9-acetyl-6-oxo-3H-purin-2-yl)amino] 5-phenylpentanoate CAS Name: 5-phenylpentanoic acid [(9-acetyl-6-oxo-3H-purin-2-yl)amino] ester IUPAC Name: [(9-acetyl-6-oxo-3H-purin-2-yl)amino] 5-phenylpentanoate Traditional Name: 5-phenylvaleric acid [(9-acetyl-6-keto-3H-purin-2-yl)amino] ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC2=C1NC(=NC2=O)NOC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=NC2=C1NC(=NC2=O)NOC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O4/c1-12(24)23-11-19-15-16(23)20-18(21-17(15)26)22-27-14(25)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,20,21,22,26)