3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C20H22N6O2S/c1-2-9-20-17(7-4-10-23-20)16(13-24-20)18-8-11-22-19(26-18)25-14-5-3-6-15(12-14)29(21,27)28/h3-8,10-13,23-24H,2,9H2,1H3,(H2,21,27,28)(H,22,25,26)