5-[2-(3,5-dimethylphenoxy)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(3,5-dimethylphenoxy)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4O2/c1-15-10-16(2)12-18(11-15)27-9-8-24-14-22-20-19(21(24)26)13-23-25(20)17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3