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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H18ClN5O2/c1-13-8-14(2)19(17(22)9-13)25-18(28)11-26-12-23-20-16(21(26)29)10-24-27(20)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,25,28)