5-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H20IN3O4S MolecularWeight: 537.37067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C)I)O

InChI

InChI=1S/C21H20IN3O4S/c1-3-7-30-21-24-19-17(20(28)25-21)15(16-12(23-19)5-4-6-13(16)26)10-8-11(22)18(27)14(9-10)29-2/h3,8-9,15,27H,1,4-7H2,2H3,(H2,23,24,25,28)