pentyl 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate

Systemtic Name: pentyl 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate Openeye Name: pentyl 5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate CAS Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pentanoic acid pentyl ester IUPAC Name: pentyl 5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate Traditional Name: 5-(2-amino-6-keto-3H-purin-9-yl)-3-methylol-valeric acid amyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCCCCOC(=O)CC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C16H25N5O4/c1-2-3-4-7-25-12(23)8-11(9-22)5-6-21-10-18-13-14(21)19-16(17)20-15(13)24/h10-11,22H,2-9H2,1H3,(H3,17,19,20,24)