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

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(2,3-dichlorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(2,3-dichlorophenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(2,3-dichlorophenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(2,3-dichlorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H17Cl2N3O2S MolecularWeight: 434.33888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O2S/c1-2-9-28-20-24-18-16(19(27)25-20)14(10-5-3-6-11(21)17(10)22)15-12(23-18)7-4-8-13(15)26/h2-3,5-6,14H,1,4,7-9H2,(H2,23,24,25,27)