5-[[5-bromanyl-4-[[2-(sulfamoylamino)phenyl]amino]pyrimidin-2-yl]amino]-2H-benzotriazole

Systemtic Name: 5-[[5-bromanyl-4-[[2-(sulfamoylamino)phenyl]amino]pyrimidin-2-yl]amino]-2H-benzotriazole Openeye Name: 5-[[5-bromo-4-[2-(sulfamoylamino)anilino]pyrimidin-2-yl]amino]-2H-benzotriazole CAS Name: 5-[[5-bromo-4-[2-(sulfamoylamino)anilino]-2-pyrimidinyl]amino]-2H-benzotriazole IUPAC Name: 5-[[5-bromo-4-[2-(sulfamoylamino)anilino]pyrimidin-2-yl]amino]-2H-benzotriazole Traditional Name: 5-[[5-bromo-4-[2-(sulfamoylamino)anilino]pyrimidin-2-yl]amino]-2H-benzotriazole Formula: C16H14BrN9O2S MolecularWeight: 476.31046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC(=NC=C2Br)NC3=CC4=NNN=C4C=C3)NS(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC(=NC=C2Br)NC3=CC4=NNN=C4C=C3)NS(=O)(=O)N

InChI

InChI=1S/C16H14BrN9O2S/c17-10-8-19-16(20-9-5-6-12-14(7-9)24-26-23-12)22-15(10)21-11-3-1-2-4-13(11)25-29(18,27)28/h1-8,25H,(H2,18,27,28)(H,23,24,26)(H2,19,20,21,22)