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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethanesulfonamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethanesulfonamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]ethanesulfonamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethanesulfonamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]ethanesulfonamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2S/c1-2-26(24,25)22-10-11-23-17-15(12-21-23)16(19-13-20-17)18-9-8-14-6-4-3-5-7-14/h3-7,12-13,22H,2,8-11H2,1H3,(H,18,19,20)