7,7-dimethyl-4-methylsulfanyl-1-phenethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium iodide

Systemtic Name: 7,7-dimethyl-4-methylsulfanyl-1-phenethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium iodide Openeye Name: 7,7-dimethyl-4-methylsulfanyl-1-phenethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium iodide CAS Name: 7,7-dimethyl-4-(methylthio)-1-phenethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium iodide IUPAC Name: 7,7-dimethyl-4-methylsulfanyl-1-phenethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium iodide Traditional Name: 7,7-dimethyl-4-(methylthio)-1-phenethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium iodide Formula: C24H27IN2OS MolecularWeight: 518.45345

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=[N+]2CCC3=CC=CC=C3)C4=CC=CC=C4)SC)C.[I-]

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=[N+]2CCC3=CC=CC=C3)C4=CC=CC=C4)SC)C.[I-]

InChI

InChI=1S/C24H27N2OS.HI/c1-24(2)16-21-20(17-27-24)23(28-3)25-22(19-12-8-5-9-13-19)26(21)15-14-18-10-6-4-7-11-18;/h4-13H,14-17H2,1-3H3;1H/q+1;/p-1