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

Systemtic Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]isoindole-1,3-dione Openeye Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]isoindoline-1,3-dione CAS Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]isoindole-1,3-dione IUPAC Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]isoindole-1,3-dione Traditional Name: 5-[[3-(2-bromophenyl)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]isoindoline-1,3-quinone Formula: C21H15BrN6O3 MolecularWeight: 479.2862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)C(=O)NC5=O

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)C(=O)NC5=O

InChI

InChI=1S/C21H15BrN6O3/c1-27-17-11(10-28(21(27)31)16-5-3-2-4-15(16)22)9-23-20(25-17)24-12-6-7-13-14(8-12)19(30)26-18(13)29/h2-9H,10H2,1H3,(H,23,24,25)(H,26,29,30)