2-[2-[3-[3-(2-bromophenyl)-7-methylsulfonyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[3-[3-(2-bromophenyl)-7-methylsulfonyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-[3-(2-bromophenyl)-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-[3-(2-bromophenyl)-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-[3-(2-bromophenyl)-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-[3-(2-bromophenyl)-2-keto-7-mesyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]ethyl]isoindoline-1,3-quinone Formula: C29H22BrN5O5S MolecularWeight: 632.48448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6Br

Isomeric SMILES

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6Br

InChI

InChI=1S/C29H22BrN5O5S/c1-41(39,40)28-31-16-19-17-34(24-12-5-4-11-23(24)30)29(38)35(25(19)32-28)20-8-6-7-18(15-20)13-14-33-26(36)21-9-2-3-10-22(21)27(33)37/h2-12,15-16H,13-14,17H2,1H3