5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=C(C=C3)C)C(=O)N1C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=C(C=C3)C)C(=O)N1C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H20N4O3/c1-3-20-24-21-17(13-23-26(21)15-6-4-14(2)5-7-15)22(27)25(20)16-8-9-18-19(12-16)29-11-10-28-18/h4-9,12-13H,3,10-11H2,1-2H3