3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-phenylazanyl-2H-pyrazolo[3,4-d][1,2,3]triazin-4-one

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-phenylazanyl-2H-pyrazolo[3,4-d][1,2,3]triazin-4-one Openeye Name: 5-anilino-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2H-pyrazolo[3,4-d]triazin-4-one CAS Name: 5-anilino-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2H-pyrazolo[3,4-d]triazin-4-one IUPAC Name: 5-anilino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2H-pyrazolo[3,4-d]triazin-4-one Traditional Name: 5-anilino-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2H-pyrazolo[3,4-d]triazin-4-one Formula: C21H18N8O2 MolecularWeight: 414.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(N=NC4=NN3)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(N=NC4=NN3)NC5=CC=CC=C5

InChI

InChI=1S/C21H18N8O2/c1-13-17(21(31)29(27(13)2)15-11-7-4-8-12-15)28-20(30)16-18(23-24-19(16)25-26-28)22-14-9-5-3-6-10-14/h3-12,22,26H,1-2H3