(6-azanyl-9H-purin-9-ium-8-yl)-(2-hydroxyethyl)azanium dichloride

Systemtic Name: (6-azanyl-9H-purin-9-ium-8-yl)-(2-hydroxyethyl)azanium dichloride Openeye Name: (6-amino-9H-purin-9-ium-8-yl)-(2-hydroxyethyl)ammonium dichloride CAS Name: (6-amino-9H-purin-9-ium-8-yl)-(2-hydroxyethyl)ammonium dichloride IUPAC Name: (6-amino-9H-purin-9-ium-8-yl)-(2-hydroxyethyl)azanium dichloride Traditional Name: (6-amino-9H-purin-9-ium-8-yl)-(2-hydroxyethyl)ammonium dichloride Formula: C7H12Cl2N6O MolecularWeight: 267.11578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C2C(=N1)[NH2+]C(=N2)[NH2+]CCO)N.[Cl-].[Cl-]

Isomeric SMILES

C1=NC(=C2C(=N1)[NH2+]C(=N2)[NH2+]CCO)N.[Cl-].[Cl-]

InChI

InChI=1S/C7H10N6O.2ClH/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14;;/h3,14H,1-2H2,(H4,8,9,10,11,12,13);2*1H