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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-sulfonamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-sulfonamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinesulfonamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-sulfonamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-sulfonamide Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H21N7O2S/c28-30(29,17-7-4-9-21-13-17)26-11-12-27-20-18(14-25-27)19(23-15-24-20)22-10-8-16-5-2-1-3-6-16/h1-7,9,13-15,26H,8,10-12H2,(H,22,23,24)