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

Systemtic Name: (5R,5aS)-5-(4-chlorophenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-5-(4-chlorophenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-(4-chlorophenyl)-2-(propylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-(4-chlorophenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-5-(4-chlorophenyl)-2-(propylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H20ClN3O2S MolecularWeight: 401.9097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-2-10-27-20-23-18-17(19(26)24-20)15(11-6-8-12(21)9-7-11)16-13(22-18)4-3-5-14(16)25/h4,6-9,15-16H,2-3,5,10H2,1H3,(H2,22,23,24,26)/t15-,16-/m0/s1