2-[(2-azanyl-6-oxidanylidene-7-propanoyloxy-purin-1-yl)methyl]butyl propanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-7-propanoyloxy-purin-1-yl)methyl]butyl propanoate Openeye Name: 2-[(2-amino-6-oxo-7-propanoyloxy-purin-1-yl)methyl]butyl propanoate CAS Name: propanoic acid 2-[[2-amino-6-oxo-7-(1-oxopropoxy)-1-purinyl]methyl]butyl ester IUPAC Name: 2-[(2-amino-6-oxo-7-propanoyloxypurin-1-yl)methyl]butyl propanoate Traditional Name: propionic acid 2-[(2-amino-6-keto-7-propionyloxy-purin-1-yl)methyl]butyl ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C2=C(N=CN2OC(=O)CC)N=C1N)COC(=O)CC

Isomeric SMILES

CCC(CN1C(=O)C2=C(N=CN2OC(=O)CC)N=C1N)COC(=O)CC

InChI

InChI=1S/C16H23N5O5/c1-4-10(8-25-11(22)5-2)7-20-15(24)13-14(19-16(20)17)18-9-21(13)26-12(23)6-3/h9-10H,4-8H2,1-3H3,(H2,17,19)