(2-methyl-6-oxidanylidene-4-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium

Systemtic Name: (2-methyl-6-oxidanylidene-4-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium Openeye Name: (4-allylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium CAS Name: [2-methyl-6-oxo-4-(prop-2-enylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: (2-methyl-6-oxo-4-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-triphenylphosphanium Traditional Name: [4-(allylthio)-6-keto-2-methyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C26H24N2OPS+ MolecularWeight: 443.520321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC=C

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC=C

InChI

InChI=1S/C26H23N2OPS/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/p+1