7-(3-chloranyl-4-methyl-phenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one Openeye Name: 7-(3-chloro-4-methyl-phenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one CAS Name: 7-(3-chloro-4-methylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one IUPAC Name: 7-(3-chloro-4-methylphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one Traditional Name: 7-(3-chloro-4-methyl-phenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-7-ium-4-one Formula: C12H10ClN4O+ MolecularWeight: 261.687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN4O/c1-7-2-3-8(4-10(7)13)17-6-14-12(18)9-5-15-16-11(9)17/h2-6H,1H3,(H,15,16,18)/p+1