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

Systemtic Name: (5R,5aS)-2-butylsulfanyl-5-(4-fluorophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-butylsulfanyl-5-(4-fluorophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-2-(butylthio)-5-(4-fluorophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-2-butylsulfanyl-5-(4-fluorophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(butylthio)-5-(4-fluorophenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2S/c1-2-3-11-28-21-24-19-18(20(27)25-21)16(12-7-9-13(22)10-8-12)17-14(23-19)5-4-6-15(17)26/h5,7-10,16-17H,2-4,6,11H2,1H3,(H2,23,24,25,27)/t16-,17-/m0/s1