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

Systemtic Name: 3-(2-methylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2-methylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2-methyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2-methylphenoxazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2-methylphenoxazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C20H19N3O4S/c1-14-7-8-18-16(13-14)23(15-5-2-3-6-17(15)27-18)12-9-19(28(24,25)26)20-21-10-4-11-22-20/h2-8,10-11,13,19H,9,12H2,1H3,(H,24,25,26)