3-(4-bromophenyl)-4,6,6-trimethyl-2-methylsulfanyl-1,5-dihydropyrimidin-3-ium-4-ol

Systemtic Name: 3-(4-bromophenyl)-4,6,6-trimethyl-2-methylsulfanyl-1,5-dihydropyrimidin-3-ium-4-ol Openeye Name: 3-(4-bromophenyl)-4,6,6-trimethyl-2-methylsulfanyl-1,5-dihydropyrimidin-3-ium-4-ol CAS Name: 3-(4-bromophenyl)-4,6,6-trimethyl-2-(methylthio)-1,5-dihydropyrimidin-3-ium-4-ol IUPAC Name: 3-(4-bromophenyl)-4,6,6-trimethyl-2-methylsulfanyl-1,5-dihydropyrimidin-3-ium-4-ol Traditional Name: 3-(4-bromophenyl)-4,6,6-trimethyl-2-(methylthio)-1,5-dihydropyrimidin-3-ium-4-ol Formula: C14H20BrN2OS+ MolecularWeight: 344.2904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC([N+](=C(N1)SC)C2=CC=C(C=C2)Br)(C)O)C

Isomeric SMILES

CC1(CC([N+](=C(N1)SC)C2=CC=C(C=C2)Br)(C)O)C

InChI

InChI=1S/C14H19BrN2OS/c1-13(2)9-14(3,18)17(12(16-13)19-4)11-7-5-10(15)6-8-11/h5-8,18H,9H2,1-4H3/p+1