1,2,3-trimethyl-7H-purin-1-ium-6-one

Systemtic Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one Openeye Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one CAS Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one IUPAC Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one Traditional Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one Formula: C8H11N4O+ MolecularWeight: 179.19914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=C(N1C)N=CN2)C

Isomeric SMILES

CC1=[N+](C(=O)C2=C(N1C)N=CN2)C

InChI

InChI=1S/C8H10N4O/c1-5-11(2)7-6(9-4-10-7)8(13)12(5)3/h4H,1-3H3/p+1