4-[1-[4-oxidanylidene-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]propyl]piperazine-2-carboxamide

Systemtic Name: 4-[1-[4-oxidanylidene-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]propyl]piperazine-2-carboxamide Openeye Name: 4-[1-(5-benzyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]piperazine-2-carboxamide CAS Name: 4-[1-[4-oxo-5-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]propyl]-2-piperazinecarboxamide IUPAC Name: 4-[1-(5-benzyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]piperazine-2-carboxamide Traditional Name: 4-[1-(5-benzyl-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]piperazine-2-carboxamide Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=NN2)C(=O)N1CC3=CC=CC=C3)N4CCNC(C4)C(=O)N

Isomeric SMILES

CCC(C1=NC2=C(C=NN2)C(=O)N1CC3=CC=CC=C3)N4CCNC(C4)C(=O)N

InChI

InChI=1S/C20H25N7O2/c1-2-16(26-9-8-22-15(12-26)17(21)28)19-24-18-14(10-23-25-18)20(29)27(19)11-13-6-4-3-5-7-13/h3-7,10,15-16,22H,2,8-9,11-12H2,1H3,(H2,21,28)(H,23,25)