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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-propanesulfonamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2S/c1-2-12-27(25,26)23-10-11-24-18-16(13-22-24)17(20-14-21-18)19-9-8-15-6-4-3-5-7-15/h3-7,13-14,23H,2,8-12H2,1H3,(H,19,20,21)