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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl butanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c1-2-3-8(18)21-5-4-20-7-17-6-14-9-10(17)15-12(13)16-11(9)19/h6H,2-5,7H2,1H3,(H3,13,15,16,19)