3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-yl-hexane-1-sulfonic acid

Systemtic Name: 3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-yl-hexane-1-sulfonic acid Openeye Name: 3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-yl-hexane-1-sulfonic acid CAS Name: 3-(2-propyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-hexanesulfonic acid IUPAC Name: 3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-ylhexane-1-sulfonic acid Traditional Name: 3-(2-propylphenoxazin-10-yl)-1-(2-pyrimidyl)hexane-1-sulfonic acid Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC3=CC=CC=C3N2C(CCC)CC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC3=CC=CC=C3N2C(CCC)CC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C25H29N3O4S/c1-3-8-18-12-13-23-21(16-18)28(20-10-5-6-11-22(20)32-23)19(9-4-2)17-24(33(29,30)31)25-26-14-7-15-27-25/h5-7,10-16,19,24H,3-4,8-9,17H2,1-2H3,(H,29,30,31)