4-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)butyl ethanoate

Systemtic Name: 4-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)butyl ethanoate Openeye Name: 4-(2-acetamido-6-oxo-3H-purin-7-yl)butyl acetate CAS Name: acetic acid 4-(2-acetamido-6-oxo-3H-purin-7-yl)butyl ester IUPAC Name: 4-(2-acetamido-6-oxo-3H-purin-7-yl)butyl acetate Traditional Name: acetic acid 4-(2-acetamido-6-keto-3H-purin-7-yl)butyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2CCCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2CCCCOC(=O)C

InChI

InChI=1S/C13H17N5O4/c1-8(19)15-13-16-11-10(12(21)17-13)18(7-14-11)5-3-4-6-22-9(2)20/h7H,3-6H2,1-2H3,(H2,15,16,17,19,21)