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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-butanesulfonamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O2S/c1-2-3-13-28(26,27)24-11-12-25-19-17(14-23-25)18(21-15-22-19)20-10-9-16-7-5-4-6-8-16/h4-8,14-15,24H,2-3,9-13H2,1H3,(H,20,21,22)