2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 5-butylpyridine-2-carboxylic acid

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 5-butylpyridine-2-carboxylic acid Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 5-butylpyridine-2-carboxylic acid CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 5-butyl-2-pyridinecarboxylic acid IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 5-butylpyridine-2-carboxylic acid Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; fusaric acid Formula: C18H24N6O5 MolecularWeight: 404.42036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)O.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)O.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C10H13NO2.C8H11N5O3/c1-2-3-4-8-5-6-9(10(12)13)11-7-8;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h5-7H,2-4H2,1H3,(H,12,13);3,14H,1-2,4H2,(H3,9,11,12,15)