5-(3-bromophenyl)-2-ethylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-bromophenyl)-2-ethylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(3-bromophenyl)-2-ethylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3-bromophenyl)-2-(ethylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3-bromophenyl)-2-ethylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(3-bromophenyl)-2-(ethylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O2S/c1-2-26-19-22-17-16(18(25)23-19)14(10-5-3-6-11(20)9-10)15-12(21-17)7-4-8-13(15)24/h3,5-7,9,14-15H,2,4,8H2,1H3,(H2,21,22,23,25)