3-(2,4-dimethylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-(2,4-dimethylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2,4-dimethylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2,4-dimethyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2,4-dimethylphenoxazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2,4-dimethylphenoxazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C3=CC=CC=C3O2)CCC(C4=NC=CC=N4)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C3=CC=CC=C3O2)CCC(C4=NC=CC=N4)S(=O)(=O)O)C

InChI

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