3-phenoxazin-10-yl-1-(1,3,4-trimethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-phenoxazin-10-yl-1-(1,3,4-trimethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Openeye Name: 3-phenoxazin-10-yl-1-(1,3,4-trimethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid CAS Name: 3-(10-phenoxazinyl)-1-(1,3,4-trimethyl-2,4-dihydropyrimidin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-phenoxazin-10-yl-1-(1,3,4-trimethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Traditional Name: 3-phenoxazin-10-yl-1-(1,3,4-trimethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CN(C(N1C)C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O)C

Isomeric SMILES

CC1C=CN(C(N1C)C(CCN2C3=CC=CC=C3OC4=CC=CC=C42)S(=O)(=O)O)C

InChI

InChI=1S/C22H27N3O4S/c1-16-12-14-23(2)22(24(16)3)21(30(26,27)28)13-15-25-17-8-4-6-10-19(17)29-20-11-7-5-9-18(20)25/h4-12,14,16,21-22H,13,15H2,1-3H3,(H,26,27,28)