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

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H26N6O4S MolecularWeight: 506.57674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C25H26N6O4S/c32-24(20-8-10-21(11-9-20)36(34,35)30-13-4-5-14-30)26-12-15-31-23-22(16-28-31)25(33)29(18-27-23)17-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12-15,17H2,(H,26,32)