3-phenothiazin-10-yl-1-(1,3,4-tripropyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-phenothiazin-10-yl-1-(1,3,4-tripropyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Openeye Name: 3-phenothiazin-10-yl-1-(1,3,4-tripropyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid CAS Name: 3-(10-phenothiazinyl)-1-(1,3,4-tripropyl-2,4-dihydropyrimidin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-phenothiazin-10-yl-1-(1,3,4-tripropyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Traditional Name: 3-phenothiazin-10-yl-1-(1,3,4-tripropyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Formula: C28H39N3O3S2 MolecularWeight: 529.75756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C=CN(C(N1CCC)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CCC

Isomeric SMILES

CCCC1C=CN(C(N1CCC)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CCC

InChI

InChI=1S/C28H39N3O3S2/c1-4-11-22-16-20-29(18-5-2)28(30(22)19-6-3)27(36(32,33)34)17-21-31-23-12-7-9-14-25(23)35-26-15-10-8-13-24(26)31/h7-10,12-16,20,22,27-28H,4-6,11,17-19,21H2,1-3H3,(H,32,33,34)