2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; pentanoate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; pentanoate Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; pentanoate CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; pentanoate IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; pentanoate Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; valerate Formula: C13H20N5O5- MolecularWeight: 326.3284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[O-].C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

CCCCC(=O)[O-].C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C8H11N5O3.C5H10O2/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;1-2-3-4-5(6)7/h3,14H,1-2,4H2,(H3,9,11,12,15);2-4H2,1H3,(H,6,7)/p-1