2-(1H-imidazol-5-yl)ethanamine diphosphate hydrate

Systemtic Name: 2-(1H-imidazol-5-yl)ethanamine diphosphate hydrate Openeye Name: 2-(1H-imidazol-5-yl)ethanamine diphosphate hydrate CAS Name: 2-(1H-imidazol-5-yl)ethanamine diphosphate hydrate IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine diphosphate hydrate Traditional Name: 2-(1H-imidazol-5-yl)ethylamine diphosphate hydrate Formula: C5H11N3O9P2-6 MolecularWeight: 319.103062

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CCN.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=C(NC=N1)CCN.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C5H9N3.2H3O4P.H2O/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4;/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4);1H2/p-6