1-(3-ethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(3-ethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3-ethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3-ethyl-4H-pyrimidin-2-yl)-3-(10-phenoxazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3-ethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3-ethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=CN=C1C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CCN1CC=CN=C1C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C21H23N3O4S/c1-2-23-14-7-13-22-21(23)20(29(25,26)27)12-15-24-16-8-3-5-10-18(16)28-19-11-6-4-9-17(19)24/h3-11,13,20H,2,12,14-15H2,1H3,(H,25,26,27)