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

Systemtic Name: 5-(4-ethylphenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(4-ethylphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-ethylphenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-ethylphenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(4-ethylphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C

InChI

InChI=1S/C22H23N3O2S/c1-3-12-28-22-24-20-19(21(27)25-22)17(14-10-8-13(4-2)9-11-14)18-15(23-20)6-5-7-16(18)26/h3,8-11,17H,1,4-7,12H2,2H3,(H2,23,24,25,27)