7-(3,5-dimethylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one

Systemtic Name: 7-(3,5-dimethylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one Openeye Name: 7-(3,5-dimethylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one CAS Name: 7-(3,5-dimethylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one IUPAC Name: 7-(3,5-dimethylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one Traditional Name: 7-(3,5-dimethylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one Formula: C13H13N4O+ MolecularWeight: 241.26852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+]2=C3C(=CNN3)C(=O)N=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)[N+]2=C3C(=CNN3)C(=O)N=C2)C

InChI

InChI=1S/C13H12N4O/c1-8-3-9(2)5-10(4-8)17-7-14-13(18)11-6-15-16-12(11)17/h3-7H,1-2H3,(H,15,16,18)/p+1