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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-piperidinosulfonyl-benzamide Formula: C27H31N7O3S MolecularWeight: 533.64514

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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(=NC=N4)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C4=C(C=N3)C(=NC=N4)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H31N7O3S/c35-27(22-9-11-23(12-10-22)38(36,37)33-16-5-2-6-17-33)29-15-18-34-26-24(19-32-34)25(30-20-31-26)28-14-13-21-7-3-1-4-8-21/h1,3-4,7-12,19-20H,2,5-6,13-18H2,(H,29,35)(H,28,30,31)