2-azanyl-7-ethanoyl-3,7-dihydropurin-7-ium-6-one ethanoate

Systemtic Name: 2-azanyl-7-ethanoyl-3,7-dihydropurin-7-ium-6-one ethanoate Openeye Name: 7-acetyl-2-amino-3,7-dihydropurin-7-ium-6-one acetate CAS Name: 7-acetyl-2-amino-3,7-dihydropurin-7-ium-6-one acetate IUPAC Name: 7-acetyl-2-amino-3,7-dihydropurin-7-ium-6-one acetate Traditional Name: 7-acetyl-2-amino-3,7-dihydropurin-7-ium-6-one acetate Formula: C9H11N5O4 MolecularWeight: 253.21474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]1C=NC2=C1C(=O)N=C(N2)N.CC(=O)[O-]

Isomeric SMILES

CC(=O)[NH+]1C=NC2=C1C(=O)N=C(N2)N.CC(=O)[O-]

InChI

InChI=1S/C7H7N5O2.C2H4O2/c1-3(13)12-2-9-5-4(12)6(14)11-7(8)10-5;1-2(3)4/h2H,1H3,(H3,8,10,11,14);1H3,(H,3,4)