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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-1-phenyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-1-phenyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[1-phenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N6O2/c1-2-10-22-21-25-19(24-14-8-9-17-18(11-14)29-13-28-17)16-12-23-27(20(16)26-21)15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3,(H2,22,24,25,26)