1-methylsulfonyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isonipecotamide Formula: C22H29N7O3S MolecularWeight: 471.57576

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H29N7O3S/c1-33(31,32)28-12-8-18(9-13-28)22(30)24-11-14-29-21-19(15-27-29)20(25-16-26-21)23-10-7-17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3,(H,24,30)(H,23,25,26)