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

Systemtic Name: (5R,5aS)-5-phenyl-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-phenyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-phenyl-2-(prop-2-enylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-phenyl-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-phenyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-2-11-26-20-22-18-17(19(25)23-20)15(12-7-4-3-5-8-12)16-13(21-18)9-6-10-14(16)24/h2-5,7-9,15-16H,1,6,10-11H2,(H2,21,22,23,25)/t15-,16-/m0/s1