4-(2-acetamidopurin-7-yl)butyl ethanoate

Systemtic Name: 4-(2-acetamidopurin-7-yl)butyl ethanoate Openeye Name: 4-(2-acetamidopurin-7-yl)butyl acetate CAS Name: acetic acid 4-(2-acetamido-7-purinyl)butyl ester IUPAC Name: 4-(2-acetamidopurin-7-yl)butyl acetate Traditional Name: acetic acid 4-(2-acetamidopurin-7-yl)butyl ester Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C2C(=N1)N=CN2CCCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC=C2C(=N1)N=CN2CCCCOC(=O)C

InChI

InChI=1S/C13H17N5O3/c1-9(19)16-13-14-7-11-12(17-13)15-8-18(11)5-3-4-6-21-10(2)20/h7-8H,3-6H2,1-2H3,(H,14,16,17,19)