2-methyl-6-prop-2-enylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one hydrobromide

Systemtic Name: 2-methyl-6-prop-2-enylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one hydrobromide Openeye Name: 6-allylsulfanyl-2-methyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one hydrobromide CAS Name: 2-methyl-6-(prop-2-enylthio)-5-triphenylphosphoranylidene-4-pyrimidinone hydrobromide IUPAC Name: 2-methyl-6-prop-2-enylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one hydrobromide Traditional Name: 6-(allylthio)-2-methyl-5-triphenylphosphoranylidene-pyrimidin-4-one hydrobromide Formula: C26H24BrN2OPS MolecularWeight: 523.424321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)SCC=C.Br

Isomeric SMILES

CC1=NC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)SCC=C.Br

InChI

InChI=1S/C26H23N2OPS.BrH/c1-3-19-31-26-24(25(29)27-20(2)28-26)30(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h3-18H,1,19H2,2H3;1H