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

Systemtic Name: N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-4-phenyl-benzamide Openeye Name: N-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-4-phenyl-benzamide CAS Name: N-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-4-phenylbenzamide IUPAC Name: N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-4-phenylbenzamide Traditional Name: N-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-4-phenyl-benzamide Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H21N5O2/c1-17-8-13-22(14-18(17)2)31-24-23(15-28-31)26(33)30(16-27-24)29-25(32)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,29,32)