4-butoxy-N-(6-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide

Systemtic Name: 4-butoxy-N-(6-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Openeye Name: 4-butoxy-N-(6-oxo-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide CAS Name: 4-butoxy-N-(6-oxo-1,5-diphenyl-4-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-butoxy-N-(6-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide Traditional Name: 4-butoxy-N-(6-keto-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C=NN(C3=NC(=O)N2C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C=NN(C3=NC(=O)N2C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O3/c1-2-3-18-36-23-16-14-20(15-17-23)27(34)30-25-24-19-29-33(22-12-8-5-9-13-22)26(24)31-28(35)32(25)21-10-6-4-7-11-21/h4-17,19H,2-3,18H2,1H3,(H,30,34)