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

Systemtic Name: 5-(4-methylphenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(p-tolyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-methylphenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-methylphenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(p-tolyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C

InChI

InChI=1S/C21H21N3O2S/c1-3-11-27-21-23-19-18(20(26)24-21)16(13-9-7-12(2)8-10-13)17-14(22-19)5-4-6-15(17)25/h3,7-10,16H,1,4-6,11H2,2H3,(H2,22,23,24,26)