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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCN1C2=C(C=N1)C(=NC=N2)NCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NCCN1C2=C(C=N1)C(=NC=N2)NCCC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O2S/c1-25(23,24)21-9-10-22-16-14(11-20-22)15(18-12-19-16)17-8-7-13-5-3-2-4-6-13/h2-6,11-12,21H,7-10H2,1H3,(H,17,18,19)