8,8-dimethyl-5-(3-methylphenyl)-2-prop-2-enylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 8,8-dimethyl-5-(3-methylphenyl)-2-prop-2-enylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-8,8-dimethyl-5-(m-tolyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 8,8-dimethyl-5-(3-methylphenyl)-2-(prop-2-enylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 8,8-dimethyl-5-(3-methylphenyl)-2-prop-2-enylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-8,8-dimethyl-5-(m-tolyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC=C

Isomeric SMILES

CC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC=C

InChI

InChI=1S/C23H25N3O2S/c1-5-9-29-22-25-20-19(21(28)26-22)17(14-8-6-7-13(2)10-14)18-15(24-20)11-23(3,4)12-16(18)27/h5-8,10,17H,1,9,11-12H2,2-4H3,(H2,24,25,26,28)