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

Systemtic Name: 3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2-ethyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2-ethylphenoxazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-2-15-8-9-19-17(14-15)24(16-6-3-4-7-18(16)28-19)13-10-20(29(25,26)27)21-22-11-5-12-23-21/h3-9,11-12,14,20H,2,10,13H2,1H3,(H,25,26,27)