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

Systemtic Name: 3-[[4-(7-methyl-1-propyl-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(7-methyl-1-propyl-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(7-methyl-1-propyl-3-pyrrolo[3,2-b]pyridinyl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(7-methyl-1-propylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(7-methyl-1-propyl-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=NC=CC(=C21)C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CCCN1C=C(C2=NC=CC(=C21)C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H22N6O2S/c1-3-11-27-13-17(19-20(27)14(2)7-9-23-19)18-8-10-24-21(26-18)25-15-5-4-6-16(12-15)30(22,28)29/h4-10,12-13H,3,11H2,1-2H3,(H2,22,28,29)(H,24,25,26)