1-(3,6-dimethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(3,6-dimethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3,6-dimethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3,6-dimethyl-4H-pyrimidin-2-yl)-3-(10-phenoxazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3,6-dimethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3,6-dimethyl-4H-pyrimidin-2-yl)-3-phenoxazin-10-yl-propane-1-sulfonic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C(=N1)C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O)C

Isomeric SMILES

CC1=CCN(C(=N1)C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O)C

InChI

InChI=1S/C21H23N3O4S/c1-15-11-13-23(2)21(22-15)20(29(25,26)27)12-14-24-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)24/h3-11,20H,12-14H2,1-2H3,(H,25,26,27)