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

Systemtic Name: (5R,5aS)-2-butylsulfanyl-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-butylsulfanyl-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-2-(butylthio)-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-2-butylsulfanyl-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(butylthio)-5-(4-dimethylaminophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C23H28N4O2S/c1-4-5-13-30-23-25-21-20(22(29)26-23)18(14-9-11-15(12-10-14)27(2)3)19-16(24-21)7-6-8-17(19)28/h7,9-12,18-19H,4-6,8,13H2,1-3H3,(H2,24,25,26,29)/t18-,19-/m0/s1