N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-methoxyphenyl)-[6-(piperonylamino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H18N6O3/c1-27-14-5-3-13(4-6-14)23-18-15-10-22-26-19(15)25-20(24-18)21-9-12-2-7-16-17(8-12)29-11-28-16/h2-8,10H,9,11H2,1H3,(H3,21,22,23,24,25,26)