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

Systemtic Name: 3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2-propyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2-propylphenoxazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2-propylphenoxazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C22H23N3O4S/c1-2-6-16-9-10-20-18(15-16)25(17-7-3-4-8-19(17)29-20)14-11-21(30(26,27)28)22-23-12-5-13-24-22/h3-5,7-10,12-13,15,21H,2,6,11,14H2,1H3,(H,26,27,28)