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

Systemtic Name: 1-(3-butyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3-butyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3-butyl-4H-pyrimidin-2-yl)-3-(10-phenoxazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3-butyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3-butyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC=CN=C1C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CCCCN1CC=CN=C1C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C23H27N3O4S/c1-2-3-15-25-16-8-14-24-23(25)22(31(27,28)29)13-17-26-18-9-4-6-11-20(18)30-21-12-7-5-10-19(21)26/h4-12,14,22H,2-3,13,15-17H2,1H3,(H,27,28,29)