(5S,5aR)-5-(3-methoxyphenyl)-2-prop-2-enylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5S,5aR)-5-(3-methoxyphenyl)-2-prop-2-enylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5S,5aR)-2-allylsulfanyl-5-(3-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5S,5aR)-5-(3-methoxyphenyl)-2-(prop-2-enylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5S,5aR)-5-(3-methoxyphenyl)-2-prop-2-enylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5S,5aR)-2-(allylthio)-5-(3-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3C(=O)CCC=C3NC4=C2C(=O)N=C(N4)SCC=C

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H]2[C@H]3C(=O)CCC=C3NC4=C2C(=O)N=C(N4)SCC=C

InChI

InChI=1S/C21H21N3O3S/c1-3-10-28-21-23-19-18(20(26)24-21)16(12-6-4-7-13(11-12)27-2)17-14(22-19)8-5-9-15(17)25/h3-4,6-8,11,16-17H,1,5,9-10H2,2H3,(H2,22,23,24,26)/t16-,17-/m1/s1