(5R,5aS)-5-(4-dimethylaminophenyl)-2-prop-2-enylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-prop-2-enylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-allylsulfanyl-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-(prop-2-enylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-prop-2-enylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(allylthio)-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-4-12-29-22-24-20-19(21(28)25-22)17(13-8-10-14(11-9-13)26(2)3)18-15(23-20)6-5-7-16(18)27/h4,6,8-11,17-18H,1,5,7,12H2,2-3H3,(H2,23,24,25,28)/t17-,18-/m0/s1