1-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypropan-2-one

Systemtic Name: 1-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypropan-2-one Openeye Name: 1-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypropan-2-one CAS Name: 1-[[1-(3,5-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-2-propanone IUPAC Name: 1-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypropan-2-one Traditional Name: 1-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetone Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)C)C

InChI

InChI=1S/C16H16N4O2/c1-10-4-11(2)6-13(5-10)20-15-14(7-19-20)16(18-9-17-15)22-8-12(3)21/h4-7,9H,8H2,1-3H3