2-azanyl-7-ethyl-3,9-dihydropurin-7-ium-6-one

Systemtic Name: 2-azanyl-7-ethyl-3,9-dihydropurin-7-ium-6-one Openeye Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one CAS Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one IUPAC Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one Traditional Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one Formula: C7H10N5O+ MolecularWeight: 180.1872

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CNC2=C1C(=O)N=C(N2)N

Isomeric SMILES

CC[N+]1=CNC2=C1C(=O)N=C(N2)N

InChI

InChI=1S/C7H9N5O/c1-2-12-3-9-5-4(12)6(13)11-7(8)10-5/h3H,2H2,1H3,(H3,8,10,11,13)/p+1