3-(6-aminopurin-9-yl)-2-azanyl-propanoic acid hydrate

Systemtic Name: 3-(6-aminopurin-9-yl)-2-azanyl-propanoic acid hydrate Openeye Name: 2-amino-3-(6-aminopurin-9-yl)propanoic acid hydrate CAS Name: 2-amino-3-(6-aminopurin-9-yl)propanoic acid hydrate IUPAC Name: 2-amino-3-(6-aminopurin-9-yl)propanoic acid hydrate Traditional Name: 3-adenin-9-yl-2-amino-propionic acid hydrate Formula: C8H12N6O3 MolecularWeight: 240.21928

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(C(=O)O)N.O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(C(=O)O)N.O

InChI

InChI=1S/C8H10N6O2.H2O/c9-4(8(15)16)1-14-3-13-5-6(10)11-2-12-7(5)14;/h2-4H,1,9H2,(H,15,16)(H2,10,11,12);1H2