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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methoxypropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methoxypropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methoxypropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(3-methoxypropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(3-methoxypropylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N6O3/c1-29-11-5-10-23-22-26-20(25-15-8-9-18-19(12-15)31-14-30-18)17-13-24-28(21(17)27-22)16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H2,23,25,26,27)