4-chloranyl-N-(6-ethyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide

Systemtic Name: 4-chloranyl-N-(6-ethyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Openeye Name: 4-chloro-N-(6-ethyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide CAS Name: 4-chloro-N-(6-ethyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-chloro-N-(6-ethyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)benzamide Traditional Name: 4-chloro-N-(6-ethyl-4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5O2/c1-2-17-23-18-16(12-22-25(18)15-6-4-3-5-7-15)20(28)26(17)24-19(27)13-8-10-14(21)11-9-13/h3-12H,2H2,1H3,(H,24,27)