4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromanyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromanyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromo-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromo-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromopyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[2-(1,3-benzothiazol-6-ylamino)-5-bromo-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C19H17BrN6O2S2 MolecularWeight: 505.41128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N=CS4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N=CS4)S(=O)(=O)N

InChI

InChI=1S/C19H17BrN6O2S2/c20-15-10-23-19(25-13-3-6-16-17(9-13)29-11-24-16)26-18(15)22-8-7-12-1-4-14(5-2-12)30(21,27)28/h1-6,9-11H,7-8H2,(H2,21,27,28)(H2,22,23,25,26)