3-(2-bromanylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-(2-bromanylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2-bromophenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2-bromo-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2-bromophenoxazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2-bromophenoxazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(O2)C=CC(=C3)Br)CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(O2)C=CC(=C3)Br)CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C19H16BrN3O4S/c20-13-6-7-17-15(12-13)23(14-4-1-2-5-16(14)27-17)11-8-18(28(24,25)26)19-21-9-3-10-22-19/h1-7,9-10,12,18H,8,11H2,(H,24,25,26)