3-(6-azanyl-1-oxidanyl-purin-1-ium-9-yl)propane-1,2-diol

Systemtic Name: 3-(6-azanyl-1-oxidanyl-purin-1-ium-9-yl)propane-1,2-diol Openeye Name: 3-(6-amino-1-hydroxy-purin-1-ium-9-yl)propane-1,2-diol CAS Name: 3-(6-amino-1-hydroxy-9-purin-1-iumyl)propane-1,2-diol IUPAC Name: 3-(6-amino-1-hydroxypurin-1-ium-9-yl)propane-1,2-diol Traditional Name: 3-(6-amino-1-hydroxy-purin-1-ium-9-yl)propane-1,2-diol Formula: C8H12N5O3+ MolecularWeight: 226.21258

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CO)O)N=C[N+](=C2N)O

Isomeric SMILES

C1=NC2=C(N1CC(CO)O)N=C[N+](=C2N)O

InChI

InChI=1S/C8H11N5O3/c9-7-6-8(11-4-13(7)16)12(3-10-6)1-5(15)2-14/h3-5,9,14-16H,1-2H2/p+1