1,3-benzodioxol-5-yl-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H28N6O3/c1-3-7-23-28-25(24-18(2)30-33(26(24)29-23)20-8-5-4-6-9-20)31-12-14-32(15-13-31)27(34)19-10-11-21-22(16-19)36-17-35-21/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3