N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C26H28N6O4S MolecularWeight: 520.60332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C4=C(C=N3)C(=O)N(C=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C4=C(C=N3)C(=O)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O4S/c33-25(21-9-11-22(12-10-21)37(35,36)31-14-5-2-6-15-31)27-13-16-32-24-23(17-29-32)26(34)30(19-28-24)18-20-7-3-1-4-8-20/h1,3-4,7-12,17,19H,2,5-6,13-16,18H2,(H,27,33)