3-[[4-[2-(3-azanylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[2-(3-azanylpropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[2-(3-aminopropylamino)-3-pyridyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[2-(3-aminopropylamino)-3-pyridinyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[2-(3-aminopropylamino)pyridin-3-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[2-(3-aminopropylamino)-3-pyridyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN

InChI

InChI=1S/C18H21N7O2S/c19-8-3-10-22-17-15(6-2-9-21-17)16-7-11-23-18(25-16)24-13-4-1-5-14(12-13)28(20,26)27/h1-2,4-7,9,11-12H,3,8,10,19H2,(H,21,22)(H2,20,26,27)(H,23,24,25)