5-(3-bromophenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-bromophenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(3-bromophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3-bromophenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3-bromophenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(3-bromophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)Br)C(=O)CCC3

Isomeric SMILES

C=CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)Br)C(=O)CCC3

InChI

InChI=1S/C20H18BrN3O2S/c1-2-9-27-20-23-18-17(19(26)24-20)15(11-5-3-6-12(21)10-11)16-13(22-18)7-4-8-14(16)25/h2-3,5-6,10,15H,1,4,7-9H2,(H2,22,23,24,26)