3-phenylpropyl 2-[(9-ethanoyl-6-oxidanylidene-3H-purin-2-yl)amino]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(9-ethanoyl-6-oxidanylidene-3H-purin-2-yl)amino]ethanoate Openeye Name: 3-phenylpropyl 2-[(9-acetyl-6-oxo-3H-purin-2-yl)amino]acetate CAS Name: 2-[(9-acetyl-6-oxo-3H-purin-2-yl)amino]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(9-acetyl-6-oxo-3H-purin-2-yl)amino]acetate Traditional Name: 2-[(9-acetyl-6-keto-3H-purin-2-yl)amino]acetic acid 3-phenylpropyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC2=C1NC(=NC2=O)NCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=NC2=C1NC(=NC2=O)NCC(=O)OCCCC3=CC=CC=C3

InChI

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