N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N6O4/c1-13-8-9-17(27(30)31)19(14(13)2)24-18(28)11-25-12-22-20-16(21(25)29)10-23-26(20)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,24,28)