N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(2-methoxyethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(2-methoxyethylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N6O3/c1-28-10-9-22-21-25-19(24-14-7-8-17-18(11-14)30-13-29-17)16-12-23-27(20(16)26-21)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H2,22,24,25,26)