(2S)-2-azanyl-9-(2-hydroxyethyloxymethyl)-1,2,3,7-tetrahydropurin-9-ium-6-one

Systemtic Name: (2S)-2-azanyl-9-(2-hydroxyethyloxymethyl)-1,2,3,7-tetrahydropurin-9-ium-6-one Openeye Name: (2S)-2-amino-9-(2-hydroxyethoxymethyl)-1,2,3,7-tetrahydropurin-9-ium-6-one CAS Name: (2S)-2-amino-9-(2-hydroxyethoxymethyl)-1,2,3,7-tetrahydropurin-9-ium-6-one IUPAC Name: (2S)-2-amino-9-(2-hydroxyethoxymethyl)-1,2,3,7-tetrahydropurin-9-ium-6-one Traditional Name: (2S)-2-amino-9-(2-hydroxyethoxymethyl)-1,2,3,7-tetrahydropurin-9-ium-6-one Formula: C8H14N5O3+ MolecularWeight: 228.22846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=[N+](C2=C(N1)C(=O)N[C@H](N2)N)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+1/t8-/m0/s1