2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; (2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; (2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; (2S)-2,5-diamino-5-oxo-pentanoic acid CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; (2S)-2,5-diamino-5-oxopentanoic acid IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; (2S)-2,5-diamino-5-oxopentanoic acid Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; (2S)-2,5-diamino-5-keto-valeric acid Formula: C13H21N7O6 MolecularWeight: 371.34914

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C(CC(=O)N)C(C(=O)O)N

Isomeric SMILES

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C(CC(=O)N)[C@@H](C(=O)O)N

InChI

InChI=1S/C8H11N5O3.C5H10N2O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;6-3(5(9)10)1-2-4(7)8/h3,14H,1-2,4H2,(H3,9,11,12,15);3H,1-2,6H2,(H2,7,8)(H,9,10)/t;3-/m.0/s1