3-chloranyl-N-(2-phenethyl-6-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide

Systemtic Name: 3-chloranyl-N-(2-phenethyl-6-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Openeye Name: 3-chloro-N-(2-phenethyl-6-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide CAS Name: 3-chloro-N-(2-phenethyl-6-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 3-chloro-N-(2-phenethyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide Traditional Name: 3-chloro-N-(2-phenethyl-6-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Formula: C26H20ClN5O MolecularWeight: 453.9229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N=C3NC(=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N=C3NC(=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN5O/c27-21-13-7-12-20(16-21)26(33)30-24-22-17-32(15-14-18-8-3-1-4-9-18)31-25(22)29-23(28-24)19-10-5-2-6-11-19/h1-13,16-17H,14-15H2,(H,28,29,30,31,33)