2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl pentanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl pentanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl pentanoate CAS Name: pentanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl pentanoate Traditional Name: valeric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H19N5O4/c1-2-3-4-9(19)22-6-5-21-8-18-7-15-10-11(18)16-13(14)17-12(10)20/h7H,2-6,8H2,1H3,(H3,14,16,17,20)