2-chloranyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-chloranyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-chloro-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-chloro-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-chloro-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-chloro-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C(C)Cl

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C(C)Cl

InChI

InChI=1S/C21H25ClN6O/c1-3-7-18-24-19(26-10-12-27(13-11-26)21(29)15(2)22)17-14-23-28(20(17)25-18)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3