N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-2-(1-naphthyl)acetamide CAS Name: N-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2-naphthalen-1-ylacetamide Traditional Name: N-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-2-(1-naphthyl)acetamide Formula: C25H21N5O2 MolecularWeight: 423.46654

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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)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C25H21N5O2/c1-16-10-11-20(12-17(16)2)30-24-22(14-27-30)25(32)29(15-26-24)28-23(31)13-19-8-5-7-18-6-3-4-9-21(18)19/h3-12,14-15H,13H2,1-2H3,(H,28,31)