3-chloranyl-5-(phenylmethyl)-6-(1-piperazin-1-ylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-chloranyl-5-(phenylmethyl)-6-(1-piperazin-1-ylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-3-chloro-6-(1-piperazin-1-ylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-chloro-5-(phenylmethyl)-6-[1-(1-piperazinyl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-3-chloro-6-(1-piperazin-1-ylpropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-3-chloro-6-(1-piperazinopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H23ClN6O MolecularWeight: 386.87852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=NNC(=C2C(=O)N1CC3=CC=CC=C3)Cl)N4CCNCC4

Isomeric SMILES

CCC(C1=NC2=NNC(=C2C(=O)N1CC3=CC=CC=C3)Cl)N4CCNCC4

InChI

InChI=1S/C19H23ClN6O/c1-2-14(25-10-8-21-9-11-25)18-22-17-15(16(20)23-24-17)19(27)26(18)12-13-6-4-3-5-7-13/h3-7,14,21H,2,8-12H2,1H3,(H,23,24)