[(2S)-9-(2-hydroxyethyloxymethyl)-6-oxidanylidene-1,2,3,7-tetrahydropurin-9-ium-2-yl]azanium

Systemtic Name: [(2S)-9-(2-hydroxyethyloxymethyl)-6-oxidanylidene-1,2,3,7-tetrahydropurin-9-ium-2-yl]azanium Openeye Name: [(2S)-9-(2-hydroxyethoxymethyl)-6-oxo-1,2,3,7-tetrahydropurin-9-ium-2-yl]ammonium CAS Name: [(2S)-9-(2-hydroxyethoxymethyl)-6-oxo-1,2,3,7-tetrahydropurin-9-ium-2-yl]ammonium IUPAC Name: [(2S)-9-(2-hydroxyethoxymethyl)-6-oxo-1,2,3,7-tetrahydropurin-9-ium-2-yl]azanium Traditional Name: [(2S)-9-(2-hydroxyethoxymethyl)-6-keto-1,2,3,7-tetrahydropurin-9-ium-2-yl]ammonium Formula: C8H15N5O3+2 MolecularWeight: 229.2364

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)C(=O)NC(N2)[NH3+])COCCO

Isomeric SMILES

C1=[N+](C2=C(N1)C(=O)N[C@H](N2)[NH3+])COCCO

InChI

InChI=1S/C8H13N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,8,14H,1-2,4,9H2,(H2,11,12,15)/p+2/t8-/m0/s1