2-azanyl-3-methyl-5,9-dihydropurin-3-ium-6-one

Systemtic Name: 2-azanyl-3-methyl-5,9-dihydropurin-3-ium-6-one Openeye Name: 2-amino-3-methyl-5,9-dihydropurin-3-ium-6-one CAS Name: 2-amino-3-methyl-5,9-dihydropurin-3-ium-6-one IUPAC Name: 2-amino-3-methyl-5,9-dihydropurin-3-ium-6-one Traditional Name: 2-amino-3-methyl-5,9-dihydropurin-3-ium-6-one Formula: C6H8N5O+ MolecularWeight: 166.16062

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(C(=O)N=C1N)N=CN2

Isomeric SMILES

C[N+]1=C2C(C(=O)N=C1N)N=CN2

InChI

InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2-3H,1H3,(H2,7,10,12)/p+1