3-chloranyl-6-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-5-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-chloranyl-6-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-5-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-benzyl-3-chloro-6-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-chloro-6-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-5-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-benzyl-3-chloro-6-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-benzyl-3-chloro-6-[1-[(4-fluorobenzyl)-[2-(methylamino)ethyl]amino]propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H28ClFN6O MolecularWeight: 482.980823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=NNC(=C2C(=O)N1CC3=CC=CC=C3)Cl)N(CCNC)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C1=NC2=NNC(=C2C(=O)N1CC3=CC=CC=C3)Cl)N(CCNC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H28ClFN6O/c1-3-20(32(14-13-28-2)15-18-9-11-19(27)12-10-18)24-29-23-21(22(26)30-31-23)25(34)33(24)16-17-7-5-4-6-8-17/h4-12,20,28H,3,13-16H2,1-2H3,(H,30,31)