5-(4-bromophenyl)-8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(4-bromophenyl)-8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-bromophenyl)-8,8-dimethyl-2-(2-morpholinoethylsulfanyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-bromophenyl)-8,8-dimethyl-2-[2-(4-morpholinyl)ethylthio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-bromophenyl)-8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-bromophenyl)-8,8-dimethyl-2-(2-morpholinoethylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C25H29BrN4O3S MolecularWeight: 545.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCCN4CCOCC4)C5=CC=C(C=C5)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCCN4CCOCC4)C5=CC=C(C=C5)Br)C(=O)C1)C

InChI

InChI=1S/C25H29BrN4O3S/c1-25(2)13-17-20(18(31)14-25)19(15-3-5-16(26)6-4-15)21-22(27-17)28-24(29-23(21)32)34-12-9-30-7-10-33-11-8-30/h3-6,19H,7-14H2,1-2H3,(H2,27,28,29,32)