4-(2-methylphenoxazin-10-yl)-2-pyrimidin-2-yl-butane-2-sulfonic acid

Systemtic Name: 4-(2-methylphenoxazin-10-yl)-2-pyrimidin-2-yl-butane-2-sulfonic acid Openeye Name: 4-(2-methylphenoxazin-10-yl)-2-pyrimidin-2-yl-butane-2-sulfonic acid CAS Name: 4-(2-methyl-10-phenoxazinyl)-2-(2-pyrimidinyl)-2-butanesulfonic acid IUPAC Name: 4-(2-methylphenoxazin-10-yl)-2-pyrimidin-2-ylbutane-2-sulfonic acid Traditional Name: 4-(2-methylphenoxazin-10-yl)-2-(2-pyrimidyl)butane-2-sulfonic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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