N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-phenethyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-phenethylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H21N5O2/c1-15-24-21(26-17-7-8-19-20(13-17)29-12-11-28-19)18-14-23-27(22(18)25-15)10-9-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,24,25,26)